Measurements
Total Page:16
File Type:pdf, Size:1020Kb
Load more
Recommended publications
-
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) . -
An Atomic Physics Perspective on the New Kilogram Defined by Planck's Constant
An atomic physics perspective on the new kilogram defined by Planck’s constant (Wolfgang Ketterle and Alan O. Jamison, MIT) (Manuscript submitted to Physics Today) On May 20, the kilogram will no longer be defined by the artefact in Paris, but through the definition1 of Planck’s constant h=6.626 070 15*10-34 kg m2/s. This is the result of advances in metrology: The best two measurements of h, the Watt balance and the silicon spheres, have now reached an accuracy similar to the mass drift of the ur-kilogram in Paris over 130 years. At this point, the General Conference on Weights and Measures decided to use the precisely measured numerical value of h as the definition of h, which then defines the unit of the kilogram. But how can we now explain in simple terms what exactly one kilogram is? How do fixed numerical values of h, the speed of light c and the Cs hyperfine frequency νCs define the kilogram? In this article we give a simple conceptual picture of the new kilogram and relate it to the practical realizations of the kilogram. A similar change occurred in 1983 for the definition of the meter when the speed of light was defined to be 299 792 458 m/s. Since the second was the time required for 9 192 631 770 oscillations of hyperfine radiation from a cesium atom, defining the speed of light defined the meter as the distance travelled by light in 1/9192631770 of a second, or equivalently, as 9192631770/299792458 times the wavelength of the cesium hyperfine radiation. -
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. -
Units and Magnitudes (Lecture Notes)
physics 8.701 topic 2 Frank Wilczek Units and Magnitudes (lecture notes) This lecture has two parts. The first part is mainly a practical guide to the measurement units that dominate the particle physics literature, and culture. The second part is a quasi-philosophical discussion of deep issues around unit systems, including a comparison of atomic, particle ("strong") and Planck units. For a more extended, profound treatment of the second part issues, see arxiv.org/pdf/0708.4361v1.pdf . Because special relativity and quantum mechanics permeate modern particle physics, it is useful to employ units so that c = ħ = 1. In other words, we report velocities as multiples the speed of light c, and actions (or equivalently angular momenta) as multiples of the rationalized Planck's constant ħ, which is the original Planck constant h divided by 2π. 27 August 2013 physics 8.701 topic 2 Frank Wilczek In classical physics one usually keeps separate units for mass, length and time. I invite you to think about why! (I'll give you my take on it later.) To bring out the "dimensional" features of particle physics units without excess baggage, it is helpful to keep track of powers of mass M, length L, and time T without regard to magnitudes, in the form When these are both set equal to 1, the M, L, T system collapses to just one independent dimension. So we can - and usually do - consider everything as having the units of some power of mass. Thus for energy we have while for momentum 27 August 2013 physics 8.701 topic 2 Frank Wilczek and for length so that energy and momentum have the units of mass, while length has the units of inverse mass. -
Estimation of Forest Aboveground Biomass and Uncertainties By
Urbazaev et al. Carbon Balance Manage (2018) 13:5 https://doi.org/10.1186/s13021-018-0093-5 RESEARCH Open Access Estimation of forest aboveground biomass and uncertainties by integration of feld measurements, airborne LiDAR, and SAR and optical satellite data in Mexico Mikhail Urbazaev1,2* , Christian Thiel1, Felix Cremer1, Ralph Dubayah3, Mirco Migliavacca4, Markus Reichstein4 and Christiane Schmullius1 Abstract Background: Information on the spatial distribution of aboveground biomass (AGB) over large areas is needed for understanding and managing processes involved in the carbon cycle and supporting international policies for climate change mitigation and adaption. Furthermore, these products provide important baseline data for the development of sustainable management strategies to local stakeholders. The use of remote sensing data can provide spatially explicit information of AGB from local to global scales. In this study, we mapped national Mexican forest AGB using satellite remote sensing data and a machine learning approach. We modelled AGB using two scenarios: (1) extensive national forest inventory (NFI), and (2) airborne Light Detection and Ranging (LiDAR) as reference data. Finally, we propagated uncertainties from feld measurements to LiDAR-derived AGB and to the national wall-to-wall forest AGB map. Results: The estimated AGB maps (NFI- and LiDAR-calibrated) showed similar goodness-of-ft statistics (R 2, Root Mean Square Error (RMSE)) at three diferent scales compared to the independent validation data set. We observed diferent spatial patterns of AGB in tropical dense forests, where no or limited number of NFI data were available, with higher AGB values in the LiDAR-calibrated map. We estimated much higher uncertainties in the AGB maps based on two-stage up-scaling method (i.e., from feld measurements to LiDAR and from LiDAR-based estimates to satel- lite imagery) compared to the traditional feld to satellite up-scaling. -
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. -
Improving the Accuracy of the Numerical Values of the Estimates Some Fundamental Physical Constants
Improving the accuracy of the numerical values of the estimates some fundamental physical constants. Valery Timkov, Serg Timkov, Vladimir Zhukov, Konstantin Afanasiev To cite this version: Valery Timkov, Serg Timkov, Vladimir Zhukov, Konstantin Afanasiev. Improving the accuracy of the numerical values of the estimates some fundamental physical constants.. Digital Technologies, Odessa National Academy of Telecommunications, 2019, 25, pp.23 - 39. hal-02117148 HAL Id: hal-02117148 https://hal.archives-ouvertes.fr/hal-02117148 Submitted on 2 May 2019 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. Improving the accuracy of the numerical values of the estimates some fundamental physical constants. Valery F. Timkov1*, Serg V. Timkov2, Vladimir A. Zhukov2, Konstantin E. Afanasiev2 1Institute of Telecommunications and Global Geoinformation Space of the National Academy of Sciences of Ukraine, Senior Researcher, Ukraine. 2Research and Production Enterprise «TZHK», Researcher, Ukraine. *Email: [email protected] The list of designations in the text: l -
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. -
Download Full-Text
International Journal of Theoretical and Mathematical Physics 2021, 11(1): 29-59 DOI: 10.5923/j.ijtmp.20211101.03 Measurement Quantization Describes the Physical Constants Jody A. Geiger 1Department of Research, Informativity Institute, Chicago, IL, USA Abstract It has been a long-standing goal in physics to present a physical model that may be used to describe and correlate the physical constants. We demonstrate, this is achieved by describing phenomena in terms of Planck Units and introducing a new concept, counts of Planck Units. Thus, we express the existing laws of classical mechanics in terms of units and counts of units to demonstrate that the physical constants may be expressed using only these terms. But this is not just a nomenclature substitution. With this approach we demonstrate that the constants and the laws of nature may be described with just the count terms or just the dimensional unit terms. Moreover, we demonstrate that there are three frames of reference important to observation. And with these principles we resolve the relation of the physical constants. And we resolve the SI values for the physical constants. Notably, we resolve the relation between gravitation and electromagnetism. Keywords Measurement Quantization, Physical Constants, Unification, Fine Structure Constant, Electric Constant, Magnetic Constant, Planck’s Constant, Gravitational Constant, Elementary Charge ground state orbital a0 and mass of an electron me – both 1. Introduction measures from the 2018 CODATA – we resolve fundamental length l . And we continue with the resolution of We present expressions, their calculation and the f the gravitational constant G, Planck’s reduced constant ħ corresponding CODATA [1,2] values in Table 1. -
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. -
Rational Dimensia
Rational Dimensia R. Hanush Physics Phor Phun, Paso Robles, CA 93446∗ (Received) Rational Dimensia is a comprehensive examination of three questions: What is a dimension? Does direction necessarily imply dimension? Can all physical law be derived from geometric principles? A dimension is any physical quantity that can be measured. If space is considered as a single dimension with a plurality of directions, then the spatial dimension forms the second of three axes in a Dimensional Coordinate System (DCS); geometric units normalize unit vectors of time, space, and mass. In the DCS all orders n of any type of motion are subject to geometric analysis in the space- time plane. An nth-order distance formula can be derived from geometric and physical principles using only algebra, geometry, and trigonometry; the concept of the derivative is invoked but not relied upon. Special relativity, general relativity, and perihelion precession are shown to be geometric functions of velocity, acceleration, and jerk (first-, second-, and third-order Lorentz transformations) with v2 coefficients of n! = 1, 2, and 6, respectively. An nth-order Lorentz transformation is extrapolated. An exponential scaling of all DCS coordinate axes results in an ordered Periodic Table of Dimensions, a periodic table of elements for physics. Over 1600 measurement units are fitted to 72 elements; a complete catalog is available online at EPAPS. All physical law can be derived from geometric principles considering only a single direction in space, and direction is unique to the physical quantity of space, so direction does not imply dimension. I. INTRODUCTION analysis can be applied to all. -
The ST System of Units Leading the Way to Unification
The ST system of units Leading the way to unification © Xavier Borg B.Eng.(Hons.) - Blaze Labs Research First electronic edition published as part of the Unified Theory Foundations (Feb 2005) [1] Abstract This paper shows that all measurable quantities in physics can be represented as nothing more than a number of spatial dimensions differentiated by a number of temporal dimensions and vice versa. To convert between the numerical values given by the space-time system of units and the conventional SI system, one simply multiplies the results by specific dimensionless constants. Once the ST system of units presented here is applied to any set of physics parameters, one is then able to derive all laws and equations without reference to the original theory which presented said relationship. In other words, all known principles and numerical constants which took hundreds of years to be discovered, like Ohm's Law, energy mass equivalence, Newton's Laws, etc.. would simply follow naturally from the spatial and temporal dimensions themselves, and can be derived without any reference to standard theoretical background. Hundreds of new equations can be derived using the ST table included in this paper. The relation between any combination of physical parameters, can be derived at any instant. Included is a step by step worked example showing how to derive any free space constant and quantum constant. 1 Dimensions and dimensional analysis One of the most powerful mathematical tools in science is dimensional analysis. Dimensional analysis is often applied in different scientific fields to simplify a problem by reducing the number of variables to the smallest number of "essential" parameters.