DOCSLIB.ORG

GI 1969 Smanjena Kvaliteta.Pdf

Total Page：16

File Type：pdf, Size：1020Kb

Download full-text PDF Read full-text

Load more

-6961 IIX" 1'2-1' 1 0389VZ ,,~IAo>I~o~xgrana" vlnlllsNI nava o ~VIS~~AZI REDAKCI ON1 ODBOR Mr A. BARIC, asistent u Centru za istraiivanje mora dr N. BRNI~EVI~,asistent u Odjelu fiziEke kemije mr F. JOVI~, asistent u Odjelu elektronike, predsiednik Odbora D. JURETI~, dipl.ini,, asistent-postdiplomand u Odjelu teorijske fizike dr M. MATOSIC, viXi asistent u Odjelu biolagije V. MIRAN, samostalni referent u Odjeljenju za kadrovske i opee poslove mr B. MOLAK, asistent-postdiplornand u Odjelu za nuklearna i atom- ska istraiivanja mr M, PERSIN, asistent u Odjelu za Evrsto stanje mr J. TOMASIC, asistent u Odjelu organske kemije i biokemije V. TOPOL~I~,dipl.phil., bibliotekar u knjiinici lnstituta, tehniEki sedaktor Strana 1 . ORGAN1 UPRAVLJANJA INSTITUTA 2. IZVJESTAJ ORGANIZACIONIH JEDINICA 2. 1. Odjel teorijske fizike 2. 2. Odjel za nuklearna i atomsko istraiivanja 2. 3. Odjel zo tvrsto stanje 2. 4. Odjel elektronike 2. 5. Odjel fizitke kemiie 2. 6. Odjel organske kemije i biokernije 2. 7. Odjel biologije 2. 8. Centar za istroiivonje moro 2. 9. Sluibo zojtite od zrolenja 2.10. Sluiba dokumentacije 2.1 1 . TehniEki sektor 2.12. Administrotivni sektor 3. PREGLEDI I TABELE 3. I. NauEni i strulni rodovi itompni u 1969. godini 3. 2. NauEni i strutni radovi predani u jtampu u 1969. godini 3. 3. Referoti na skupovima, koji su publicirani u zbornicima u 1969. godini 3. 4. Referoti i uEestvovonja no nauEnim i strutnim skupovima u 1969. godini 3. 5. Doktorske disertacije u 1969. godini 3. 6. Magistarski rodovi u 1969. godini 3. 7. Kolokviji, seminari i predovanjo odriona u lnstitutu u 1969. godini 3. 8. Predovanjo suradnika odriono izvan lnstituta u 1969. go- dini 3. 9. Surodnja sa Sveutiliitem u Zagrebu i drugim institucijamo 3.10. Krotok pregled surodnje s privredom i drugim organizoci- lama 3.1 1. Strane delegocije u lnstitutu u 1969. godini 3.12. Sudjelovonje suradnika lnstituta u delegacijamo u 1969. godini 3.13. Posjete stranih gostiju lnstitutu u 1969. godini 3.14. Specijalizacije stronih strutnjako u lnstitutu u 1969. godi- ni 3.15. Studijsko putovonjo surodnika lnstituta u 1969. godini 3.16. Pregled specijolizocijo suradnika lnstituta u 1969. godini 3.17. Napredovonja u izbornim zvanjima i nagrode u 1969. go- dini 3.18. Kretonje istroiivatkog kadra u 1969. godini 3.19. Stonje kodro 31.XII 1969. 3.20. Prosjeeni rodni stoi i storost istroiivafa u 1969. godini 3.21 . Pregled stipendisto II stupnja sveutililne nastove IRB 3.22. Pregled stipendista Ill stupnja sveutiliine nastove IRB 3.23. Pregled radnika lnstituto - studenata Ill stupnja sveulilii- ne nostave 5. dr MARK0 BRANICA, vi3i nauEni suwdnik u Odjelu fiziEke kemije - vaditel j Laboratorija za fizitko-kemijske separacije Instituta, 6. dr NlKOlA CINDRO, vili nauEni suradnik u Odjelu za nuklearna i atomska istraiivanja - voditelj Laboratorija za nuklear- nu spektroskapiju Instituta, 7. ZIATKO DESPOTOVIC, strutni asistent u Odjelu za tvrsto stanje - vaditelj Laboratorija za visokotemperaturne materijale Instituta, 8. mr VLADlMlR GALOGA~,asistent u Odjelu za Evrsta stanje lnsti- tuta, 9. dr VELlMlR PRAVDI~, vili naufni suradnik u Cdjelu fizitke kemije - voditelj Laboratorija za elektrokemiju lnstituta, 10. MARK0 STANI~, naEelnik Nabavno-prodajnag odjel jenja Instituta, 11. dr VELJKO STANKOVI~, nautni savjetnik u Odjelu biolagije - pro- Eelnik Odjela biolagije lnstituta. lmenovani Elanavi Sovieto : 1.. Ini. IVAN JERMAN, direktor lnstituta za istmiivanje i razvoj INA, Zagreb, predstavnik Privredne kamare SR Hwatske, 2. dr SVETOZAR KUREPA, redovni profesor Priradoslovno-matematiEkog fakulteta Sveutililta u Zagrebu, predstavnik Prirada- slovna-matematitkog fakulteta, 3. dr ALOlS TAV~R,akademik, predstavnik Savjeta za nautni rad SR Hrvatrke, 4. ini. ZDENKO VERNI~, direktor lnstituta za telekomunikacije i auta- matizaciju IET-a, Zagreb, predstavnik Privredne komore SR Hrvatske. Sastav Savjeta , od 20.111 1969. Predsjednik Savjeta. : Dr NIK~A ALLEGRETTI, nautni savjetnik u Odjelu biologije lnstituta. Zamjenik predsjednika Savjeta : Dr MILENKO VLATKOVIC, naut~~isuradnik u Odjelu fizifke kemije - proEelnik Odjela fizitke kemije lnstituta. 4. dr SVETOZAR KUREPA, redovni profesor Prirodoslovno-matematitkog fakulteta SveutiliIta u Zagrebu, predstavnik Prirado- slovno-motemotitkog fokulteta, 5. dr BORISWV MAKJANIC, izvanredni profesor i predstajnik Geofi- zitkog zovada Prirodoslovno-matematitkog fakulteta Sveutiliitu u Zagrebu, predstavnik Priradoslovno-mote- motitkog fokulteta, 6. dr SINISA MARICIC, noutni savjetoik lnstituta za biologiju Sveuti- liita u Zagrebu, predstavnik Saveznog savjeta za koor- dinaciju nautnih djelatnosti, Beogmd - ad 23.Xll 1969., 7. dr ALOlS TAV~R,okademik, predstavnik Savjeta za noutni rad SR Hwatske - do 17.Vll 1969. NAUCNO VIJECE INSTITUTA Sastav Nautnog vijefa do 19.IX 1969. Predsjednik Nautnog vijefa : Dr IVO SLAUS, nautni savjetnik u Odjelu za nukleorna i atomsko istra- iivanja - protelnik Odjela za nukleorna i atomsko istroiivanja lnstituta. Zamjenik predsjednika Nautnog vijefo : Dr SMILJKO A~PERGER,nautni savjetnik u Odjelu fizitke kemije - vo- ditelj Laborotorija zo kemijsku kinetiku lnstituta. Sekretar Nautnog vijefa : Dr NATKO URLI, nautni surodnik u Odjelu za tvrsto stanje lnstituta. Clanovi Nautnog vije6a : 1. Dr GAJA ALAGA, noutni ravjetnik u Odjelu teorijske fizike - pro- telnik Odjelo teorijske fizike lnstituto, 2. dr NlKOlA CINDRO, viji nouini surodnik u Odjelu za nukleorna i atomska istroiivonja - voditelj Loborotorija za nukleornu spektroskopiju lnstituta, 3. dr DlNA KEGLEVI~, nauini sovjetnik u Odjelu organske kemiie i biokemije - protelnik Odjela organske kemije i bioke- mije Instituta, 4. dr MAKSIMILIJAN KONRAD, noutni savjetnik u Odjelu elektroni- ke - proielnik Odjela elektronike lnstituto, 5. dr ~ELJKOKU~AN, noutni suradnik u Odjelu orgonske kemije i biokemije lnstituta, 6. dr SERGIJE KVEDER, vi3i noutni suradnik u Odjelu organske kemije i biokemije lnstituta, 7. dr BORIS MATKOVI~, viIi nauini suradnik u Odjelu za Evrsto sta- nje - protelnik Odjela za ivrsto stonje lnstituto, 8. dr ZVONlMlR PU~AR,nauini savjetnik u Odjelu fiziike kerniie - proielnik Odjela fiziike kemije lnstituto, 9. dr VELJKO STANKOVI~, nauini savjetnik u Odjelu biotogije - pro- Eelnik Odjela biologije lnstituta, 10. dr VlNKO SKARI~, viIi nauini suradnik u Odjelu orgonske kemije i biokemije - direktor lnstituta, 11. dr BO~OTE~K, nauEni savjetnik u Odjelu fiziike kernije - vodi- telj Laboratorija za rnetoritke sisteme lnstituto, 12. dr VLADIVOJ VALKOVI~, nauini suradnik u Odjelu za nuklearna i atomska istraiivanjo - voditelj Laboratorija za nuklear- ne reakciie lnstituta. Sastov Noutnog vijeCa od 19.IX 1969. Predsjednik NauEnog vijeCa : Dr IVO LAU US, nautni savjetnik u Odjelu za nuklearna i atomsko istro- iivanjo - profelnik Odjelo za nuklearna i atornska istroiivanja lnstituta - do 9.Xll 1969., dr GAJA ALAGA, naufni savjetnik u Odjelu teorijske fizike - protelnik Odjela teorijske fizike lnstituta - od 15.Xll 1969. Zomienik predsiednika Nautnog vijeCo : Dr MARK0 BRANICA, viIi nauini surodnik u Centw za istraiivanje mo- ra - protelnik Centro zo istraiivanje moro lnstituta. Sekretar NauEnog vijeCa : Dr NATKO URLI, nautni suradnik u Odjelu za Evrsto stanje lnstituta. 1. Dr NlKOlA CINDRO, viJi nauEni suradnik u Odjelu za nuklearna i atomska istraiivanjo - voditelj Laboratorija za nukle- arnu spektroskopiju lnstituta, 2. dr ANTUN HAN, nautni suradnik u Odjetu biologije - proEelnik Odjela biologije lnstituta, 3. dr JANKO HERAK, nautni suradnik u Odjelu za Evrsto stanje - protelnik Odjela zo ivrsto stanje lnstituta, 4. dr MAKSlMlLlJAN KONRAD, nautni savjetnik u Odjelu elektroni- ke - praielnik Odjela elektronike lnstituto, 5. dr ~ELJKOKU~N, nautni suradnik u Odjelu organske kemije i biokemije lnstituta, 6. dr SERGIJE KVEDER, vi3i nautni suradnik u cent^ za istraiivanje mora - voditelj Laboratorija za organsku produkciju i biokemiju lnstituta, 7. dr DlONlS SUNKO, nouEni savjetnik u Odjelu organske kemije i biokemije - prozelnik Odjela organske kemije i bioke- mije lnstituta, 8. dr VINKO SKARI€, viji nautni suradnik u Odjelu organske kemije i biokemije - direktor Instituta, 9. dr BOZO TE~K,naueni savjetnik u Odjelu fizitke kemije - vcdi- telj Laboratorija za metaritke sisteme lnstituta, 10. dr VLADIVOJ VALKOV~€, nautni suradnik u Odjelu za nuklearna i otomska istraiivanja - voditelj Laborotorija za nuklear- ne reokcije lnstituta, 11. dr MILENKO VLATKOVIC, nautni suradnik u Odjelu fizitke kemije - protelnik Odjela fizieke kemije lnstituta. UPRAVNI ODBOR INSTITUTA Sastov Upravnog odbora do 21.111 1969. Predsjeclnik Upmvnog odbora : Dr MARK0 BRANICA, vi3i nouini surodnik u Odjelu fizifke kemije - vo- ditelj Laborotorijo za fiziEko-kemijske separacije lnsti- tuta. Zamjenik predsjedniko Uprovnog odboro : Dr JANKO HERAK, nauini surodnik u Odjelu za fvrsto stanje - voditelj Laborotorija za radiovalnu spektroskopiju lnstituto. Elonovi Uprovnog odbora : 1. MARIJAN BUKOVEC, samostalni. konstwktor - voditelj Konstrukcionag uredo lnstituta, 2. dr MAT0 ORHANOVI~, nouini surudnik u Odielu fiziEke kemije lnstituto, 3. dr PETAR STROHAL, viJi nau€ni surodnik u Odjelu fiziike kemije voditelj Loboratorija za nukleornu kemiju lnstituta, 4. dr VlNKO SKARI&, vi~inouEni surodnik u Odjelu organske kemije i biokemije - direktor lnstituto, 5. dr NIKOLA ZOVKO, nouini surodnik u Odjelu teorijske fizike - vo- ditelj Grupe za visokoenergetsku n,ukleornu fiziku Instituta. Zamjenici ilanovo Upruvnog odbora : 1. Dr BRANKO VITALE, nauEni surodnik u Odjelu biologije - voditelj Lobomtorija za tumorsku i tronsplontocijsku
Recommended publications
  • Bunjevački Prigled

    Bunjevački Prigled

    Udruženje građana „Bunjevci“ Novi Sad BUNJEVAČKI PRIGLED ZBORNIK ZA KULTURU I DRUŠTVENA PITANJA BUNJEVACA GODINA 2013, SVESKA 2. Novi Sad, 2013. Zbornik za kulturu i društvena pitanja Bunjevaca Izdava č Udruženje gra đana „Bunjevci“ Novi Sad Za izdava ča Ivan Vojni ć Kortmiš Uredništvo dr Aleksandar Rai č, glavni i odgovorni urednik mr Suzana Kujundži ć Ostoji ć dr Jelisaveta Zidarevi ć Kalajdži ć dr Bela Pokri ć 2 Bunjevački prigled, 2013/2 Sadržaj Uvodnik Nuz drugu svesku „Bunjeva čkog prigleda“ /5/ Tragom savrimenosti Tomislav Nikoli ć : Poslanica Predsednika Republike Srbije Bunjevcima /9/ Suzana Kujundži ć Ostoji ć : 25 novembar 1918 godine – istorijski dan za Bunjevce u Srbiji /14/ Jene Maglai : Poruka Bunjevcima gradona čelnika Subotice /17/ Branko Pokorni ć : Povodom obeležavanja „Dana formiranja prvog nacionalnog saveta 23.02.2003“ /19/ Aleksandar Rai č: Uloga publicistike u razvoju demokratskog dijaloga u nacionalnoj zajednici Bunjevaca /22/ Suzana Kujundži ć Ostoji ć : Bunjeva čki informativni centar – izdava čka dilatnost /26/ Suzana Kujundži ć Ostoji ć : Dan Dužijance 15. avgust 2013. /30/ Studije i istraživanja Suzana Kujundži ć Ostoji ć : Stanje i problemi razvoja kulture bu- njeva čke nacionalne zajednice /33/ Aleksandar Rai č : Kulturni vidici bunjeva čke nacionalne zajednice /39/ Zvonko Stanti ć : Kultura Bunjevaca u istorijskoj perspektivi /49/ Ivan Sedlak : Uloga Bunjeva čke Matice u o čuvanju nacionalnog identiteta Bunjevaca /60/ 3 Zbornik za kulturu i društvena pitanja Bunjevaca Suzana Kujundži ć Ostoji ć, Aleksandar
  • Simplified Hartree-Fock Computations on Second-Row Atoms

    Simplified Hartree-Fock Computations on Second-Row Atoms

    Simplified Hartree-Fock Computations on Second-Row Atoms S. M. Blinder Wolfram Research, Inc. Champaign, IL 61820, USA May 18, 2021 Modern computational quantum chemistry has developed to a large extent beginning with applications of the Hartree-Fock method to atoms and molecules[1]. Density-functional methods have now largely supplanted conventional Hartree-Fock computations in current applications of computational chemistry. Still, from a pedagogical point of view, an un- derstanding of the original methods remains a necessary preliminary. However, since more elaborate Hartree-Fock computations are now no longer needed, it will suffice to consider a computationally simplified application of the method[2]. Accordingly, we will represent the many-electron wavefunction by a single closed-shell Slater determinant and use basis functions which are simple Slater-type orbitals. This is in contrast to the more elaborate Hartree-Fock computations, which might use multi-determinant wavefunctions and double- zeta basis functions. All of the symbolic and numerical operations were carried out using Mathematica. We consider Hartree-Fock computations on the ground states of the second-row atoms He through Ne, Z = 2 to 10, using the simplest set of orthonormalized 1s, 2s and 2p orbital functions: s α3=2 3β5 α + β = p e−αr; = 1 − r e−βr; 1s π 2s π(α2 − αβ + β2) 3 5=2 γ −γr 2pfx;y;zg = p re fsin θ cos φ, sin θ sin φ, cos θg: (1) arXiv:2105.07018v1 [quant-ph] 14 May 2021 π An orbital function multiplied by a spin function α or β is known as a spinorbital, a product of the form ( α φ(x) = (r) : (2) β 1 A simple representation of a many-electron atom is given by a Slater determinant con- structed from N occupied spin-orbitals: φa(1) φb(1) : : : φn(1) 1 φa(2) φb(2) : : : φn(2) Ψ(1;:::;N) = p ; (3) .
  • A Self-Interaction-Free Local Hybrid Functional: Accurate Binding

    A Self-Interaction-Free Local Hybrid Functional: Accurate Binding

    A self-interaction-free local hybrid functional: accurate binding energies vis-`a-vis accurate ionization potentials from Kohn-Sham eigenvalues Tobias Schmidt,1, ∗ Eli Kraisler,2, ∗ Adi Makmal,2, † Leeor Kronik,2 and Stephan K¨ummel1 1Theoretical Physics IV, University of Bayreuth, 95440 Bayreuth, Germany 2Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100,Israel (Dated: September 12, 2018) We present and test a new approximation for the exchange-correlation (xc) energy of Kohn- Sham density functional theory. It combines exact exchange with a compatible non-local correlation functional. The functional is by construction free of one-electron self-interaction, respects constraints derived from uniform coordinate scaling, and has the correct asymptotic behavior of the xc energy density. It contains one parameter that is not determined ab initio. We investigate whether it is possible to construct a functional that yields accurate binding energies and affords other advantages, specifically Kohn-Sham eigenvalues that reliably reflect ionization potentials. Tests for a set of atoms and small molecules show that within our local-hybrid form accurate binding energies can be achieved by proper optimization of the free parameter in our functional, along with an improvement in dissociation energy curves and in Kohn-Sham eigenvalues. However, the correspondence of the latter to experimental ionization potentials is not yet satisfactory, and if we choose to optimize their prediction, a rather different value of the functional’s parameter is obtained. We put this finding in a larger context by discussing similar observations for other functionals and possible directions for further functional development that our findings suggest.
  • Mozaicul Voivodinean – Fragmente Din Cultura Comunităților Naționale Din Voivodina – Ediția Întâi © Autori: Aleksandr

    Mozaicul Voivodinean – Fragmente Din Cultura Comunităților Naționale Din Voivodina – Ediția Întâi © Autori: Aleksandr

    Mozaicul voivodinean – fragmente din cultura comunităților naționale din Voivodina – Ediția întâi © Autori: Aleksandra Popović Zoltan Arđelan © Editor: Secretariatul Provincial pentru Educație, Reglementări, Adminstrație și Minorități Naționale -Comunități Naționale © Сoeditor: Institutul de Editură „Forum”, Novi Sad Referent: prof. univ. dr. Žolt Lazar Redactorul ediției: Bojan Gregurić Redactarea grafică și pregătirea pentru tipar: Administrația pentru Afaceri Comune a Organelor Provinciale Coperta și designul: Administrația pentru Afaceri Comune a Organelor Provinciale Traducere în limba română: Mircea Măran Lectorul ediției în limba română: Florina Vinca Ilustrații: Pal Lephaft Fotografiile au fost oferite de arhivele: - Institutului Provincial pentru Protejarea Monumentelor Culturale - Muzeului Voivodinei - Muzeului Municipiului Novi Sad - Muzeului municipiului Subotica - Ivan Kukutov - Nedeljko Marković REPUBLICA SERBIA – PROVINCIA AUTONOMĂ VOIVODINA Secretariatul Provincial pentru Educație, Reglementări, Adminstrație și Minorități Naționale -Comunități Naționale Proiectul AFIRMAREA MULTICULTURALISMULUI ȘI A TOLERANȚEI ÎN VOIVODINA SUBPROIECT „CÂT DE BINE NE CUNOAŞTEM” Tiraj: 150 exemplare Novi Sad 2019 1 PREFAȚĂ AUTORILOR A povesti povestea despre Voivodina nu este ușor. A menționa și a cuprinde tot ceea ce face ca acest spațiu să fie unic, recognoscibil și specific, aproape că este imposibil. În timp ce faceți cunoștință cu specificurile acesteia care i-au inspirat secole în șir pe locuitorii ei și cu operele oamenilor de seamă care provin de aci, vi se deschid și ramifică noi drumuri de investigație, gândire și înțelegere a câmpiei voivodinene. Tocmai din această cauză, nici autorii prezentei cărți n-au fost pretențioși în intenția de a prezenta tot ceea ce Voivodina a fost și este. Mai întâi, aceasta nu este o carte despre istoria Voivodinei, și deci, nu oferă o prezentare detaliată a istoriei furtunoase a acestei părți a Câmpiei Panonice.
  • Account 0103 - 5053 $6.00+0.00Ac Carbocations on Zeolites

    Account 0103 - 5053 $6.00+0.00Ac Carbocations on Zeolites

    J. Braz. Chem. Soc., Vol. 22, No. 7, 1197-1205, 2011. Printed in Brazil - ©2011 Sociedade Brasileira de Química Account 0103 - 5053 $6.00+0.00Ac Carbocations on Zeolites. Quo Vadis? Claudio J. A. Mota* and Nilton Rosenbach Jr.# Instituto de Química and INCT de Energia e Ambiente, Universidade Federal do Rio de Janeiro, Cidade Universitária, CT Bloco A, 21941-909 Rio de Janeiro-RJ, Brazil A natureza dos carbocátions adsorvidos na superfície da zeólita é discutida neste artigo, destacando estudos experimentais e teóricos. A adsorção de halogenetos de alquila sobre zeólitas trocadas com metais tem sido usada para estudar o equilíbrio entre alcóxidos, que são espécies covalentes, e carbocátions, que têm natureza iônica. Cálculos teóricos indicam que os carbocátions são mínimos (intermediários) na superfície de energia potencial e estabilizados por ligações hidrogênio com os átomos de oxigênio da estrutura zeolítica. Os resultados indicam que zeólitas se comportam como solventes sólidos, estabilizando a formação de espécies iônicas. The nature of carbocations on the zeolite surface is discussed in this account, highlighting experimental and theoretical studies. The adsorption of alkylhalides over metal-exchanged zeolites has been used to study the equilibrium between covalent alkoxides and ionic carbocations. Theoretical calculations indicated that the carbocations are minima (intermediates) on the potential energy surface and stabilized by hydrogen bonds with the framework oxygen atoms. The results indicate that zeolites behave like solid solvents, stabilizing the formation of ionic species. Keywords: zeolites, carbocations, alkoxides, catalysis, acidity 1. Introduction Thus, NH4Y can be prepared by exchange of the NaY with ammonium salt solutions. An acidic material can Zeolites are crystalline aluminosilicates with pores of be obtained by calcination of the ammonium-exchanged molecular dimensions.
  • ACF NATIONALS 2018 ROUND 1 PRELIMS 1 Packet by OXFORD + DUKE

    ACF NATIONALS 2018 ROUND 1 PRELIMS 1 Packet by OXFORD + DUKE

    ACF NATIONALS 2018 ROUND 1 PRELIMS 1 packet by OXFORD + DUKE authors Oxford: Daoud Jackson, George Charlson, Jacob Robertson, Freddy Potts, Chris Stern Duke: Ryan Humphrey, Gabe Guedes, Lucian Li, Annabelle Yang ACF Nationals 2018 | Packet: Oxford + Duke | Page 1 Editors: Jordan Brownstein, Andrew Hart, Stephen Liu, Aaron Rosenberg, Andrew Wang, Ryan Westbrook Tossups 1. ARCIMBOLDO (ar-chim-BOL-do) and the auto-rickshaw platform process data from this technique. The sphere-of- influence algorithm for this technique helps differentiate solvents and the target molecule, and like the free lunch algorithm, is found in the SHELXE (“shell X-E”) package. Data from this technique can be more easily processed by repeating data collection after either using a laser to induce radiation damage in the sample, or soaking the sample in a heavy metal compound. This is the most prominent technique for which Rigaku produces instruments, including the MiniFlex. MAD, SAD, and isomorphous replacement are methods used in this technique to solve the phase problem. The systematic absences from this technique are used to help find the space group of the analyte, which must be determined in order to solve the final structure. For 10 points, name this technique that uses Bragg’s law to determine the structure of a crystal. ANSWER: x-ray diffraction [accept x-ray crystallography or XRD] 2. Five years after this man’s death, his diaries were collected by the manager of the Pomeranian Mortgage Bank, including correspondences produced while he lived with his former lieutenant Wilhelm Junker. This man’s peaceful meeting with Omukama Kabalega (oh-moo-KAH-mah kah-bah-LEH-gah) is commemorated by a cone-shaped structure at the Mparo Royal Tombs.
  • Core Electron Binding Energies in Heavy Atoms

    Core Electron Binding Energies in Heavy Atoms

    l~m;~, Vol. 21, No. 2, August 1983, pp. 103-110. © Printed in India. Core electron binding energies in heavy atoms M P DAS Department of Physics, Sambalpur University,Jyoti Vihar, Sambalpur 768 017, India MS received 8 October 1982; revised 26 April 1983 Abstract. Inner shell binding of electrons in heavy atoms is studied through the relativistic density functional theory in which many electron interactions are treated in a local density approximation. By using this theory and the A scF procedure binding energies of several core electrons of mercury atom are calculatedin the frozen and relaxed configurations. The results are compared with those carried out by the non-local Dirac-Fock Scheme. K-shellbinding energies of several closed shell atoms are calculated by using the Kolm-Shamand the relativisticexchange potentials. The results are discussed and the discrepancies in our local densityresults, when compared with experimental values, may be attributed to the non-localityand to the many-body effects. Keywords. Atomic structure; binding ener~; relaxed orbitals; density functional; Breit interaction. 1. Introduction Calculations on the electronic structure of heavy atoms based on the relativistic theory, such as multi-oonfigurational Dirac-Fock (MeDF) method (Desolaux 1980) are in reasonably good agreement with experimental findings. This theory employs one- electron Dirao Hamiltonian that contains the kinematics of the electrons and their interactions with the classical nuclear field. The electron-electron interaction is then added in two parts. The first part is treated in ~e Hartree-Fock sense by applying variational principle to a many-electron wavefunction as an antisymmctric product of one-electron orbitals.
  • New Method for Measuring Angle-Resolved Phases in Photoemission

    New Method for Measuring Angle-Resolved Phases in Photoemission

    PHYSICAL REVIEW X 10, 031070 (2020) New Method for Measuring Angle-Resolved Phases in Photoemission Daehyun You ,1 Kiyoshi Ueda,1,* Elena V. Gryzlova ,2 Alexei N. Grum-Grzhimailo ,2 Maria M. Popova ,2,3 Ekaterina I. Staroselskaya,3 Oyunbileg Tugs,4 Yuki Orimo ,4 Takeshi Sato ,4,5,6 Kenichi L. Ishikawa ,4,5,6 Paolo Antonio Carpeggiani ,7 Tamás Csizmadia,8 Miklós Füle,8 Giuseppe Sansone ,9 Praveen Kumar Maroju,9 Alessandro D’Elia ,10,11 Tommaso Mazza,12 Michael Meyer ,12 Carlo Callegari ,13 Michele Di Fraia,13 Oksana Plekan ,13 Robert Richter,13 Luca Giannessi,13,14 Enrico Allaria,13 Giovanni De Ninno,13,15 Mauro Trovò,13 ‡ Laura Badano,13 Bruno Diviacco ,13 Giulio Gaio,13 David Gauthier,13, Najmeh Mirian,13 Giuseppe Penco,13 † Primož Rebernik Ribič ,13,15 Simone Spampinati,13 Carlo Spezzani,13 and Kevin C. Prince 13,16, 1Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577, Japan 2Skobeltsyn Institute of Nuclear Physics, Lomonosov Moscow State University, Moscow 119991, Russia 3Faculty of Physics, Lomonosov Moscow State University, Moscow 119991, Russia 4Department of Nuclear Engineering and Management, Graduate School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan 5Photon Science Center, Graduate School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan 6Research Institute for Photon Science and Laser Technology, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan 7Institut für Photonik, Technische
  • Approximate Molecular Electronic Structure Methods

    Approximate Molecular Electronic Structure Methods

    APPROXIMATE MOLECULAR ELECTRONIC STRUCTURE METHODS By CHARLES ALBERT TAYLOR, JR. A DISSERTATION PRESENTED TO THE GRADUATE SCHOOL OF THE UNIVERSITY OF FLORIDA IN PARTIAL FULFILLMENT OF THE REQUIREMENTS FOR THE DEGREE OF DOCTOR OF PHILOSOPHY UNIVERSITY OF FLORIDA 1990 To my grandparents, Carrie B. and W. D. Owens ACKNOWLEDGMENTS It would be impossible to adequately acknowledge all of those who have contributed in one way or another to my “graduate school experience.” However, there are a few who have played such a pivotal role that I feel it appropriate to take this opportunity to thank them: • Dr. Michael Zemer for his enthusiasm despite my more than occasional lack thereof. • Dr. Yngve Ohm whose strong leadership and standards of excellence make QTP a truly unique environment for students, postdocs, and faculty alike. • Dr. Jack Sabin for coming to the rescue and providing me a workplace in which to finish this dissertation. I will miss your bookshelves which I hope are back in order before you read this. • Dr. William Weltner who provided encouragement and seemed to have confidence in me, even when I did not. • Joanne Bratcher for taking care of her boys and keeping things running smoothly at QTP-not to mention Sanibel. Of course, I cannot overlook those friends and colleagues with whom I shared much over the past years: • Alan Salter, the conservative conscience of the clubhouse and a good friend. • Bill Parkinson, the liberal conscience of the clubhouse who, along with his family, Bonnie, Ryan, Danny, and Casey; helped me keep things in perspective and could always be counted on for a good laugh.
  • (1-2) VI (2015) Proslov

    (1-2) VI (2015) Proslov

    UDC 001 15(1-2) 1-340, I-VIII (2015) ZAGREB ISSN 1333-6347 1-2/15 Hrvatski prirodoslovci 24 1. međunarodni skup Odjela za prirodoslovlje i matematiku Matice hrvatske Sarajevo, 23. – 24. listopada 2015. UDC 001 ISSN 1333-6347 PRIRODOSLOVLJE Časopis Odjela za prirodoslovlje i matematiku Matice hrvatske Izlazi dvaput godišnje / Published twice a year Nakladnik / Publisher Matica hrvatska Odjel za prirodoslovlje i matematiku Ulica Matice hrvatske 2, HR-10000 Zagreb Za nakladnika / For publisher Stjepan Damjanović Pročelnica Odjela za prirodoslovlje i matematiku Jasna Matekalo Draganović Počasni urednik / Honorary editor Nenad Trinajstić Glavna i odgovorna urednica / Editor-in-chief Barbara Bulat UREDNIŠTVO / EDITORIAL BOARD Barbara Bulat, Paula Durbešić, August Janeković, Tatjana Kren, Nikola Ljubešić, Jasna Matekalo Draganović, Željko Mrak, Snježana Paušek-Baždar, Nenad Raos, Berislav Šebečić, Darko Veljan, Nenad Trinajstić Lektor za engleski jezik / English language advisor Robert Bulat PRIRODOSLOVLJE 15(1-2) III (2015) III UDC 001 ISSN 1333-6347 Časopis je tiskan uz financijsku potporu Zaklade Hrvatske akademije znanosti i umjetnosti Slog i prijelom / Typesetting Matica hrvatska, Zagreb Oblikovanje / Layout Barbara Bulat Tisak / Print Kerschoffset d.o.o., Zagreb Naklada / Circulation 500 primjeraka /copies IV PRIRODOSLOVLJE 15(1-2) IV (2015) Kazalo PRIRODOSLOVLJE 1-2/15 1 Proslov: Barbara Bulat Hrvatski prirodoslovci 24 IZVORNI ZNANSTVENI RAD / ORIGINAL SCIENTIFIC PAPER 3 Ivica Martinović Juraj Dragišić o pojmu mjesta u Dubrovniku godine
  • 2 Variational Wave Functions for Molecules and Solids

    2 Variational Wave Functions for Molecules and Solids

    2 Variational Wave Functions for Molecules and Solids W.M.C. Foulkes Department of Physics Imperial College London Contents 1 Introduction 2 2 Slater determinants 4 3 The Hartree-Fock approximation 11 4 Configuration expansions 14 5 Slater-Jastrow wave functions 21 6 Beyond Slater determinants 27 E. Pavarini and E. Koch (eds.) Topology, Entanglement, and Strong Correlations Modeling and Simulation Vol. 10 Forschungszentrum Julich,¨ 2020, ISBN 978-3-95806-466-9 http://www.cond-mat.de/events/correl20 2.2 W.M.C. Foulkes 1 Introduction Chemists and condensed matter physicists are lucky to have a reliable “grand unified theory” — the many-electron Schrodinger¨ equation — capable of describing almost every phenomenon we encounter. If only we were able to solve it! Finding the exact solution is believed to be “NP hard” in general [1], implying that the computational cost almost certainly scales exponentially with N. Until we have access to a working quantum computer, the best we can do is seek good approximate solutions computable at a cost that rises less than exponentially with system size. Another problem is that our approximate solutions have to be surprisingly accurate to be useful. The energy scale of room-temperature phenomena is kBT ≈ 0.025 eV per electron, and the en- ergy differences between competing solid phases can be as small as 0.01 eV per atom [2]. Quan- tum chemists say that 1 kcal mol−1 (≈ 0.043 eV) is “chemical accuracy” and that methods with errors much larger than this are not good enough to provide quantitative predictions of room temperature chemistry.
  • Fundamental Harmonic Power Laws Relating the Frequency Equivalents of the Electron, Bohr Radius, Rydberg Constant with the Fine Structure, Planck’S Constant, 2 and Π

    Fundamental Harmonic Power Laws Relating the Frequency Equivalents of the Electron, Bohr Radius, Rydberg Constant with the Fine Structure, Planck’S Constant, 2 and Π

    Journal of Modern Physics, 2016, 7, 1801-1810 http://www.scirp.org/journal/jmp ISSN Online: 2153-120X ISSN Print: 2153-1196 Fundamental Harmonic Power Laws Relating the Frequency Equivalents of the Electron, Bohr Radius, Rydberg Constant with the Fine Structure, Planck’s Constant, 2 and π Donald William Chakeres Department of Radiology, The Ohio State University, Columbus, OH, USA How to cite this paper: Chakeres, D.W. Abstract (2016) Fundamental Harmonic Power Laws − Relating the Frequency Equivalents of the We evaluate three of the quantum constants of hydrogen, the electron, e , the Bohr Electron, Bohr Radius, Rydberg Constant radius, a0, and the Rydberg constants, R∞, as natural unit frequency equivalents, v. with the Fine Structure, Planck’s Constant, This is equivalent to Planck’s constant, h, the speed of light, c, and the electron 2 and π. Journal of Modern Physics, 7, charge, e, all scaled to 1 similar in concept to the Hartree atomic, and Planck units. 1801-1810. http://dx.doi.org/10.4236/jmp.2016.713160 These frequency ratios are analyzed as fundamental coupling constants. We recog- 2 nize that the ratio of the product of 8π , the ve− times the vR divided by va0 squared Received: August 3, 2016 equals 1. This is a power law defining Planck’s constant in a dimensionless domain as Accepted: September 27, 2016 1. We also find that all of the possible dimensionless and dimensioned ratios corres- Published: September 30, 2016 pond to other constants or classic relationships, and are systematically inter-related Copyright © 2016 by author and by multiple power laws to the fine structure constant, α; and the geometric factors 2, Scientific Research Publishing Inc.