Chapter 6 Quantum Theory of the Hydrogen Atom
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Schrödinger Equation)
Lecture 37 (Schrödinger Equation) Physics 2310-01 Spring 2020 Douglas Fields Reduced Mass • OK, so the Bohr model of the atom gives energy levels: • But, this has one problem – it was developed assuming the acceleration of the electron was given as an object revolving around a fixed point. • In fact, the proton is also free to move. • The acceleration of the electron must then take this into account. • Since we know from Newton’s third law that: • If we want to relate the real acceleration of the electron to the force on the electron, we have to take into account the motion of the proton too. Reduced Mass • So, the relative acceleration of the electron to the proton is just: • Then, the force relation becomes: • And the energy levels become: Reduced Mass • The reduced mass is close to the electron mass, but the 0.0054% difference is measurable in hydrogen and important in the energy levels of muonium (a hydrogen atom with a muon instead of an electron) since the muon mass is 200 times heavier than the electron. • Or, in general: Hydrogen-like atoms • For single electron atoms with more than one proton in the nucleus, we can use the Bohr energy levels with a minor change: e4 → Z2e4. • For instance, for He+ , Uncertainty Revisited • Let’s go back to the wave function for a travelling plane wave: • Notice that we derived an uncertainty relationship between k and x that ended being an uncertainty relation between p and x (since p=ћk): Uncertainty Revisited • Well it turns out that the same relation holds for ω and t, and therefore for E and t: • We see this playing an important role in the lifetime of excited states. -
Unit 1 Old Quantum Theory
UNIT 1 OLD QUANTUM THEORY Structure Introduction Objectives li;,:overy of Sub-atomic Particles Earlier Atom Models Light as clectromagnetic Wave Failures of Classical Physics Black Body Radiation '1 Heat Capacity Variation Photoelectric Effect Atomic Spectra Planck's Quantum Theory, Black Body ~diation. and Heat Capacity Variation Einstein's Theory of Photoelectric Effect Bohr Atom Model Calculation of Radius of Orbits Energy of an Electron in an Orbit Atomic Spectra and Bohr's Theory Critical Analysis of Bohr's Theory Refinements in the Atomic Spectra The61-y Summary Terminal Questions Answers 1.1 INTRODUCTION The ideas of classical mechanics developed by Galileo, Kepler and Newton, when applied to atomic and molecular systems were found to be inadequate. Need was felt for a theory to describe, correlate and predict the behaviour of the sub-atomic particles. The quantum theory, proposed by Max Planck and applied by Einstein and Bohr to explain different aspects of behaviour of matter, is an important milestone in the formulation of the modern concept of atom. In this unit, we will study how black body radiation, heat capacity variation, photoelectric effect and atomic spectra of hydrogen can be explained on the basis of theories proposed by Max Planck, Einstein and Bohr. They based their theories on the postulate that all interactions between matter and radiation occur in terms of definite packets of energy, known as quanta. Their ideas, when extended further, led to the evolution of wave mechanics, which shows the dual nature of matter -
Quantum Theory of the Hydrogen Atom
Quantum Theory of the Hydrogen Atom Chemistry 35 Fall 2000 Balmer and the Hydrogen Spectrum n 1885: Johann Balmer, a Swiss schoolteacher, empirically deduced a formula which predicted the wavelengths of emission for Hydrogen: l (in Å) = 3645.6 x n2 for n = 3, 4, 5, 6 n2 -4 •Predicts the wavelengths of the 4 visible emission lines from Hydrogen (which are called the Balmer Series) •Implies that there is some underlying order in the atom that results in this deceptively simple equation. 2 1 The Bohr Atom n 1913: Niels Bohr uses quantum theory to explain the origin of the line spectrum of hydrogen 1. The electron in a hydrogen atom can exist only in discrete orbits 2. The orbits are circular paths about the nucleus at varying radii 3. Each orbit corresponds to a particular energy 4. Orbit energies increase with increasing radii 5. The lowest energy orbit is called the ground state 6. After absorbing energy, the e- jumps to a higher energy orbit (an excited state) 7. When the e- drops down to a lower energy orbit, the energy lost can be given off as a quantum of light 8. The energy of the photon emitted is equal to the difference in energies of the two orbits involved 3 Mohr Bohr n Mathematically, Bohr equated the two forces acting on the orbiting electron: coulombic attraction = centrifugal accelleration 2 2 2 -(Z/4peo)(e /r ) = m(v /r) n Rearranging and making the wild assumption: mvr = n(h/2p) n e- angular momentum can only have certain quantified values in whole multiples of h/2p 4 2 Hydrogen Energy Levels n Based on this model, Bohr arrived at a simple equation to calculate the electron energy levels in hydrogen: 2 En = -RH(1/n ) for n = 1, 2, 3, 4, . -
Principal, Azimuthal and Magnetic Quantum Numbers and the Magnitude of Their Values
268 A Textbook of Physical Chemistry – Volume I Principal, Azimuthal and Magnetic Quantum Numbers and the Magnitude of Their Values The Schrodinger wave equation for hydrogen and hydrogen-like species in the polar coordinates can be written as: 1 휕 휕휓 1 휕 휕휓 1 휕2휓 8휋2휇 푍푒2 (406) [ (푟2 ) + (푆푖푛휃 ) + ] + (퐸 + ) 휓 = 0 푟2 휕푟 휕푟 푆푖푛휃 휕휃 휕휃 푆푖푛2휃 휕휙2 ℎ2 푟 After separating the variables present in the equation given above, the solution of the differential equation was found to be 휓푛,푙,푚(푟, 휃, 휙) = 푅푛,푙. 훩푙,푚. 훷푚 (407) 2푍푟 푘 (408) 3 푙 푘=푛−푙−1 (−1)푘+1[(푛 + 푙)!]2 ( ) 2푍 (푛 − 푙 − 1)! 푍푟 2푍푟 푛푎 √ 0 = ( ) [ 3] . exp (− ) . ( ) . ∑ 푛푎0 2푛{(푛 + 푙)!} 푛푎0 푛푎0 (푛 − 푙 − 1 − 푘)! (2푙 + 1 + 푘)! 푘! 푘=0 (2푙 + 1)(푙 − 푚)! 1 × √ . 푃푚(퐶표푠 휃) × √ 푒푖푚휙 2(푙 + 푚)! 푙 2휋 It is obvious that the solution of equation (406) contains three discrete (n, l, m) and three continuous (r, θ, ϕ) variables. In order to be a well-behaved function, there are some conditions over the values of discrete variables that must be followed i.e. boundary conditions. Therefore, we can conclude that principal (n), azimuthal (l) and magnetic (m) quantum numbers are obtained as a solution of the Schrodinger wave equation for hydrogen atom; and these quantum numbers are used to define various quantum mechanical states. In this section, we will discuss the properties and significance of all these three quantum numbers one by one. Principal Quantum Number The principal quantum number is denoted by the symbol n; and can have value 1, 2, 3, 4, 5…..∞. -
Vibrational Quantum Number
Fundamentals in Biophotonics Quantum nature of atoms, molecules – matter Aleksandra Radenovic [email protected] EPFL – Ecole Polytechnique Federale de Lausanne Bioengineering Institute IBI 26. 03. 2018. Quantum numbers •The four quantum numbers-are discrete sets of integers or half- integers. –n: Principal quantum number-The first describes the electron shell, or energy level, of an atom –ℓ : Orbital angular momentum quantum number-as the angular quantum number or orbital quantum number) describes the subshell, and gives the magnitude of the orbital angular momentum through the relation Ll2 ( 1) –mℓ:Magnetic (azimuthal) quantum number (refers, to the direction of the angular momentum vector. The magnetic quantum number m does not affect the electron's energy, but it does affect the probability cloud)- magnetic quantum number determines the energy shift of an atomic orbital due to an external magnetic field-Zeeman effect -s spin- intrinsic angular momentum Spin "up" and "down" allows two electrons for each set of spatial quantum numbers. The restrictions for the quantum numbers: – n = 1, 2, 3, 4, . – ℓ = 0, 1, 2, 3, . , n − 1 – mℓ = − ℓ, − ℓ + 1, . , 0, 1, . , ℓ − 1, ℓ – –Equivalently: n > 0 The energy levels are: ℓ < n |m | ≤ ℓ ℓ E E 0 n n2 Stern-Gerlach experiment If the particles were classical spinning objects, one would expect the distribution of their spin angular momentum vectors to be random and continuous. Each particle would be deflected by a different amount, producing some density distribution on the detector screen. Instead, the particles passing through the Stern–Gerlach apparatus are deflected either up or down by a specific amount. -
Lecture 3: Particle in a 1D Box
Lecture 3: Particle in a 1D Box First we will consider a free particle moving in 1D so V (x) = 0. The TDSE now reads ~2 d2ψ(x) = Eψ(x) −2m dx2 which is solved by the function ψ = Aeikx where √2mE k = ± ~ A general solution of this equation is ψ(x) = Aeikx + Be−ikx where A and B are arbitrary constants. It can also be written in terms of sines and cosines as ψ(x) = C sin(kx) + D cos(kx) The constants appearing in the solution are determined by the boundary conditions. For a free particle that can be anywhere, there is no boundary conditions, so k and thus E = ~2k2/2m can take any values. The solution of the form eikx corresponds to a wave travelling in the +x direction and similarly e−ikx corresponds to a wave travelling in the -x direction. These are eigenfunctions of the momentum operator. Since the particle is free, it is equally likely to be anywhere so ψ∗(x)ψ(x) is independent of x. Incidently, it cannot be normalized because the particle can be found anywhere with equal probability. 1 Now, let us confine the particle to a region between x = 0 and x = L. To do this, we choose our interaction potential V (x) as follows V (x) = 0 for 0 x L ≤ ≤ = otherwise ∞ It is always a good idea to plot the potential energy, when it is a function of a single variable, as shown in Fig.1. The TISE is now given by V(x) V=infinity V=0 V=infinity x 0 L ~2 d2ψ(x) + V (x)ψ(x) = Eψ(x) −2m dx2 First consider the region outside the box where V (x) = . -
Further Quantum Physics
Further Quantum Physics Concepts in quantum physics and the structure of hydrogen and helium atoms Prof Andrew Steane January 18, 2005 2 Contents 1 Introduction 7 1.1 Quantum physics and atoms . 7 1.1.1 The role of classical and quantum mechanics . 9 1.2 Atomic physics—some preliminaries . .... 9 1.2.1 Textbooks...................................... 10 2 The 1-dimensional projectile: an example for revision 11 2.1 Classicaltreatment................................. ..... 11 2.2 Quantum treatment . 13 2.2.1 Mainfeatures..................................... 13 2.2.2 Precise quantum analysis . 13 3 Hydrogen 17 3.1 Some semi-classical estimates . 17 3.2 2-body system: reduced mass . 18 3.2.1 Reduced mass in quantum 2-body problem . 19 3.3 Solution of Schr¨odinger equation for hydrogen . ..... 20 3.3.1 General features of the radial solution . 21 3.3.2 Precisesolution.................................. 21 3.3.3 Meanradius...................................... 25 3.3.4 How to remember hydrogen . 25 3.3.5 Mainpoints.................................... 25 3.3.6 Appendix on series solution of hydrogen equation, off syllabus . 26 3 4 CONTENTS 4 Hydrogen-like systems and spectra 27 4.1 Hydrogen-like systems . 27 4.2 Spectroscopy ........................................ 29 4.2.1 Main points for use of grating spectrograph . ...... 29 4.2.2 Resolution...................................... 30 4.2.3 Usefulness of both emission and absorption methods . 30 4.3 The spectrum for hydrogen . 31 5 Introduction to fine structure and spin 33 5.1 Experimental observation of fine structure . ..... 33 5.2 TheDiracresult ..................................... 34 5.3 Schr¨odinger method to account for fine structure . 35 5.4 Physical nature of orbital and spin angular momenta . -
Bouncing Oil Droplets, De Broglie's Quantum Thermostat And
Preprints (www.preprints.org) | NOT PEER-REVIEWED | Posted: 28 August 2018 doi:10.20944/preprints201808.0475.v1 Peer-reviewed version available at Entropy 2018, 20, 780; doi:10.3390/e20100780 Article Bouncing oil droplets, de Broglie’s quantum thermostat and convergence to equilibrium Mohamed Hatifi 1, Ralph Willox 2, Samuel Colin 3 and Thomas Durt 4 1 Aix Marseille Université, CNRS, Centrale Marseille, Institut Fresnel UMR 7249,13013 Marseille, France; hatifi[email protected] 2 Graduate School of Mathematical Sciences, the University of Tokyo, 3-8-1 Komaba, Meguro-ku, 153-8914 Tokyo, Japan; [email protected] 3 Centro Brasileiro de Pesquisas Físicas, Rua Dr. Xavier Sigaud 150,22290-180, Rio de Janeiro – RJ, Brasil; [email protected] 4 Aix Marseille Université, CNRS, Centrale Marseille, Institut Fresnel UMR 7249,13013 Marseille, France; [email protected] Abstract: Recently, the properties of bouncing oil droplets, also known as ‘walkers’, have attracted much attention because they are thought to offer a gateway to a better understanding of quantum behaviour. They indeed constitute a macroscopic realization of wave-particle duality, in the sense that their trajectories are guided by a self-generated surrounding wave. The aim of this paper is to try to describe walker phenomenology in terms of de Broglie-Bohm dynamics and of a stochastic version thereof. In particular, we first study how a stochastic modification of the de Broglie pilot-wave theory, à la Nelson, affects the process of relaxation to quantum equilibrium, and we prove an H-theorem for the relaxation to quantum equilibrium under Nelson-type dynamics. -
Modern Physics: Problem Set #5
Physics 320 Fall (12) 2017 Modern Physics: Problem Set #5 The Bohr Model ("This is all nonsense", von Laue on Bohr's model; "It is one of the greatest discoveries", Einstein on the same). 2 4 mek e 1 ⎛ 1 ⎞ hc L = mvr = n! ; E n = – 2 2 ≈ –13.6eV⎜ 2 ⎟ ; λn →m = 2! n ⎝ n ⎠ | E m – E n | Notes: Exam 1 is next Friday (9/29). This exam will cover material in chapters 2 through 4. The exam€ is closed book, closed notes but you may bring in one-half of an 8.5x11" sheet of paper with handwritten notes€ and equations. € Due: Friday Sept. 29 by 6 pm Reading assignment: for Monday, 5.1-5.4 (Wave function for matter & 1D-Schrodinger equation) for Wednesday, 5.5, 5.8 (Particle in a box & Expectation values) Problem assignment: Chapter 4 Problems: 54. Bohr model for hydrogen spectrum (identify the region of the spectrum for each λ) 57. Electron speed in the Bohr model for hydrogen [Result: ke 2 /n!] A1. Rotational Spectra: The figure shows a diatomic molecule with bond- length d rotating about its center of mass. According to quantum theory, the d m ! ! ! € angular momentum ( ) of this system is restricted to a discrete set L = r × p m of values (including zero). Using the Bohr quantization condition (L=n!), determine the following: a) The allowed€ rotational energies of the molecule. [Result: n 2!2 /md 2 ] b) The wavelength of the photon needed to excite the molecule from the n to the n+1 rotational state. -
Bohr Model of Hydrogen
Chapter 3 Bohr model of hydrogen Figure 3.1: Democritus The atomic theory of matter has a long history, in some ways all the way back to the ancient Greeks (Democritus - ca. 400 BCE - suggested that all things are composed of indivisible \atoms"). From what we can observe, atoms have certain properties and behaviors, which can be summarized as follows: Atoms are small, with diameters on the order of 0:1 nm. Atoms are stable, they do not spontaneously break apart into smaller pieces or collapse. Atoms contain negatively charged electrons, but are electrically neutral. Atoms emit and absorb electromagnetic radiation. Any successful model of atoms must be capable of describing these observed properties. 1 (a) Isaac Newton (b) Joseph von Fraunhofer (c) Gustav Robert Kirch- hoff 3.1 Atomic spectra Even though the spectral nature of light is present in a rainbow, it was not until 1666 that Isaac Newton showed that white light from the sun is com- posed of a continuum of colors (frequencies). Newton introduced the term \spectrum" to describe this phenomenon. His method to measure the spec- trum of light consisted of a small aperture to define a point source of light, a lens to collimate this into a beam of light, a glass spectrum to disperse the colors and a screen on which to observe the resulting spectrum. This is indeed quite close to a modern spectrometer! Newton's analysis was the beginning of the science of spectroscopy (the study of the frequency distri- bution of light from different sources). The first observation of the discrete nature of emission and absorption from atomic systems was made by Joseph Fraunhofer in 1814. -
Analysis of Nonlinear Dynamics in a Classical Transmon Circuit
Analysis of Nonlinear Dynamics in a Classical Transmon Circuit Sasu Tuohino B. Sc. Thesis Department of Physical Sciences Theoretical Physics University of Oulu 2017 Contents 1 Introduction2 2 Classical network theory4 2.1 From electromagnetic fields to circuit elements.........4 2.2 Generalized flux and charge....................6 2.3 Node variables as degrees of freedom...............7 3 Hamiltonians for electric circuits8 3.1 LC Circuit and DC voltage source................8 3.2 Cooper-Pair Box.......................... 10 3.2.1 Josephson junction.................... 10 3.2.2 Dynamics of the Cooper-pair box............. 11 3.3 Transmon qubit.......................... 12 3.3.1 Cavity resonator...................... 12 3.3.2 Shunt capacitance CB .................. 12 3.3.3 Transmon Lagrangian................... 13 3.3.4 Matrix notation in the Legendre transformation..... 14 3.3.5 Hamiltonian of transmon................. 15 4 Classical dynamics of transmon qubit 16 4.1 Equations of motion for transmon................ 16 4.1.1 Relations with voltages.................. 17 4.1.2 Shunt resistances..................... 17 4.1.3 Linearized Josephson inductance............. 18 4.1.4 Relation with currents................... 18 4.2 Control and read-out signals................... 18 4.2.1 Transmission line model.................. 18 4.2.2 Equations of motion for coupled transmission line.... 20 4.3 Quantum notation......................... 22 5 Numerical solutions for equations of motion 23 5.1 Design parameters of the transmon................ 23 5.2 Resonance shift at nonlinear regime............... 24 6 Conclusions 27 1 Abstract The focus of this thesis is on classical dynamics of a transmon qubit. First we introduce the basic concepts of the classical circuit analysis and use this knowledge to derive the Lagrangians and Hamiltonians of an LC circuit, a Cooper-pair box, and ultimately we derive Hamiltonian for a transmon qubit. -
1.2 Formulation of the Schrödinger Equation for the Hydrogen Atom
2 1 Hydrogen orbitals 1.2 Formulation of the Schrodinger¨ equation for the hydrogen atom In this initial treatment, we will make some practical approximations and simplifi- cations. Since we are for the moment only trying to establish the general form of the hydrogenic wave functions, this will suffice. To start with, we will assume that the nucleus has zero extension. We place the origin at its position, and we ignore the centre-of-mass motion. This reduces the two-body problem to a single particle, the electron, moving in a central-field potential. To take the finite mass of the nu- cleus into account, we replace the electron mass with the reduced mass, m, of the two-body problem. Moreover, we will in this chapter ignore the effect on the wave function of relativistic effects, which automatically implies that we ignore the spins of the electron and of the nucleus. This makes us ready to formulate the Hamilto- nian. The potential is the classical Coulomb interaction between two particles of op- posite charges. With spherical coordinates, and with r as the radial distance of the electron from the origin, this is: Ze2 V(r) = − ; (1.1) 4pe0 r with Z being the charge state of the nucleus. The Schrodinger¨ equation is: h¯ 2 − ∇2y(r) +V(r)y = Ey(r) ; (1.2) 2m where the Laplacian in spherical coordinates is: 1 ¶ ¶ 1 ¶ ¶ 1 ¶ 2 ∇2 = r2 + sinq + : (1.3) r2 ¶r ¶r r2 sinq ¶q ¶q r2 sin2 q ¶j2 Since the potential is purely central, the solution to (1.2) can be factorised into a radial and an angular part, y(r;q;j) = R(r)Y(q;j).