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atomic theory and the periodic table
atomic theory and the periodic table

2 Quantum Theory of Spin Waves
2 Quantum Theory of Spin Waves

... can also be found in Martin [5] and Rado and Suhl [6]. The approach taken here was introduced by Heitler and London [7]. ...
Relativistic quantum mechanics and the S matrix
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THE WIGHTMAN AXIOMS AND THE MASS GAP FOR STRONG
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Classical-field description of the quantum effects
Classical-field description of the quantum effects

... In this case, the Dirac equation and its specific cases (Klein-Gordon, Pauli and Schrödinger) should be considered to be the usual field equations of a classical electron wave field, similar to Maxwell’s equations for classical electromagnetic fields. As was shown in [10], considering the electron w ...
Full-Text PDF
Full-Text PDF

Many-body properties of a spherical two
Many-body properties of a spherical two

... the ground state of the S2DEG can excite a single electron from an occupied state 关 n(l ⬘ ,m ⬘ )⫽1兴 into an unoccupied state 关 n(L,m⫹m ⬘ )⫽0兴. These are the single-particle excitations 共called the ‘‘Landau continuum’’ in the case of the flat 2DEG兲. Figure 2 illustrates this concept in relation to th ...
Detection of Organic Pollutants with a Pulsed Ion Mobility
Detection of Organic Pollutants with a Pulsed Ion Mobility

Chapter 10 Chemical Bonding Theories
Chapter 10 Chemical Bonding Theories

... Orbitals on atoms “mix” to make molecular orbtials, which go over 2 or more atoms. Two electrons can be in an orbital. Orbitals are either: bonding, antibonding, or nonbonding. Bonds are either: sigma or pi. ...
2s - Chemistry
2s - Chemistry

Angular Momentum 23.1 Classical Description
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... We learn that, for example, [L̂x , L̂y ] = i ~ Lz . This tells us that it is impossible to find eigenfunctions of Lx that are simultaneously eigenfunctions of Ly and/or Lz . So returning to the issue of [Ĥ, L̂i ] = 0, we can, evidently, choose any one of the angular momentum operators, and have sha ...
Complete Analytical Solutions of the Mie
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Lecture notes, Chapter 2. Introduction to Quantum Mechanics
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Unified treatment of quantum coherent and incoherent hopping
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... the environmental degrees of freedom. The most commonly used theory from this approach is the Redfield equation,15–18 which is based on second-order perturbative truncation with respect to electron-environment interaction and the Markov approximation. In photosynthetic EET, each site of a multichrom ...
Aalborg Universitet
Aalborg Universitet

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On the conundrum of deriving exact solutions from approximate

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One-Dimensional Mass-Spring Chains Supporting Elastic Waves
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ψ ε
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... d > 3, we naturally have to make this assumption. On the other hand, we will need the approximate envelope u to be rather smooth, which requires a smooth nonlinearity, σ ∈ N. Intersecting this property with the assumptions of Theorem 1.4 leaves only one case: d = 3 and σ = 1, that is (1.1), up to th ...
The Power of Perturbation Theory
The Power of Perturbation Theory

Atomic Theory and the Periodic Table Atomic Theory and the
Atomic Theory and the Periodic Table Atomic Theory and the

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... Until now, higher-order cosmological correlations have been calculated by solving the classical field equations beyond the linear approximation. As will be shown in the Appendix, this is equivalent to calculating sums of tree graphs, though in a formalism different from the familiar Feynman graph fo ...
Understanding the destruction of nth
Understanding the destruction of nth

Operators and Quantum Mechanics
Operators and Quantum Mechanics

... For Hermitian operators  and B̂ representing physical variables it is very important to know if they commute ˆ ˆ  BA ˆˆ ? i.e., is AB Remember that because these linear operators obey the same algebra as matrices in general operators do not commute ...
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Coupled cluster

Coupled cluster (CC) is a numerical technique used for describing many-body systems. Its most common use is as one of several post-Hartree–Fock ab initio quantum chemistry methods in the field of computational chemistry. It essentially takes the basic Hartree–Fock molecular orbital method and constructs multi-electron wavefunctions using the exponential cluster operator to account for electron correlation. Some of the most accurate calculations for small to medium-sized molecules use this method.The method was initially developed by Fritz Coester and Hermann Kümmel in the 1950s for studying nuclear physics phenomena, but became more frequently used when in 1966 Jiři Čížek (and later together with Josef Paldus) reformulated the method for electron correlation in atoms and molecules. It is now one of the most prevalent methods in quantum chemistry that includes electronic correlation.CC theory is simply the perturbative variant of the Many Electron Theory (MET) of Oktay Sinanoğlu, which is the exact (and variational) solution of the many electron problem, so it was also called ""Coupled Pair MET (CPMET)"". J. Čížek used the correlation function of MET and used Goldstone type perturbation theory to get the energy expression while original MET was completely variational. Čížek first developed the Linear-CPMET and then generalized it to full CPMET in the same paper in 1966. He then also performed an application of it on benzene molecule with O. Sinanoğlu in the same year. Because MET is somewhat difficult to perform computationally, CC is simpler and thus, in today's computational chemistry, CC is the best variant of MET and gives highly accurate results in comparison to experiments.
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