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Baryons in O (4) and Vibron Model
Baryons in O (4) and Vibron Model

... completeness of the present RS classification scheme. In further paralleling baryons from the third nucleon and ∆ clusters with K + 1 = 6, one finds in addition the four states H1,11 , P31 , P33 , and D33 with masses above 2000 MeV to be “missing” for the completeness of the new classification schem ...
Spatial and Temporal Wave Functions of Photon
Spatial and Temporal Wave Functions of Photon

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Quantum Mechanical Operators and Commutation C I. Bra

Theories of Covalent Bonding
Theories of Covalent Bonding

Photodissociation Dynamics R. Schinke
Photodissociation Dynamics R. Schinke

... of HNCO(AQ 1 A00 ) as functions of the two bond distances RHN and RNC . The two exit channels correspond to the two chemically different products H C NCO and NH C CO that can be formed. Although the other four degrees of freedom, RCO , ˛, ˇ, and , are fixed in this picture, the potential is not ind ...
Theoretical aspects of Solid State Physics
Theoretical aspects of Solid State Physics

A new approach for the two-electron cumulant in natural orbital
A new approach for the two-electron cumulant in natural orbital

... functional. The unknown functional only needs to incorporate electron correlation. Moreover, the onematrix is a much simpler object than the N-particle wave function, and the ensemble N-representability conditions that have to be imposed on variations of ⌫ are well known [12]. Finally, the natural o ...
On the Dirac Scattering Problem
On the Dirac Scattering Problem

Week 7
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... aside, the Rayleigh quotient is an example of a functional, that is, a real-valued mapping. Here, RQ maps elements of a suitable function space to the positive reals. Given that the Rayleigh quotient yields upper estimates, or “upper bounds”, to the eigenvalue λ1 , one may well be interested in find ...
Quantum fluid dynamics approach for electronic - Prof. Shih
Quantum fluid dynamics approach for electronic - Prof. Shih

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Chapter 2—Chemical Formulas and Composition Stoichiometry

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CHEM3117/CHEM3917 Spectroscopy and Quantum Chemistry

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Chemistry of free transition metal clusters

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... and the electron–electron interactions as a first step. In this section only non-dissipative transport properties are considered. These are dominated by interference effects due to Bragg reflections. Let us note that the framework applies to all kinds of aperiodic materials, including QCs, in any di ...
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p15_11_6.pdf

... density-matrix hold much promise for the simulation of correlated many-electron dynamics far from equilibrium, but difficulties with finding good approximations for the interaction term in its equation of motion have so far impeded their application. These difficulties include the violation of funda ...
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Transition form factor of the hydrogen Rydberg atom

... where u C i & and u C f & are the electron wave functions for the initial and final atomic states, respectively, and p is the momentum transferred to electrons ~atomic units are used throughout the paper!. The square of Eq. ~1.1!, u T f i u 2 , is the transition probability from the state i to the s ...
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Do You Need to Believe in Orbitals to Use Them - Philsci

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Chapter 3 Symmetry in quantum mechanics

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ΟΝ THE WAVE FUNCTION OF THE PHOTON

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Quantization of bi-Hamiltonian systems J.

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Quantum measurements of coupled systems * L. Fedichkin, M. Shapiro,

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Lecture 4 Postulates of Quantum Mechanics, Operators

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Formal Theory of Green Functions

... is an eigenstate of H or is commutab le medium. Since the state I with H, the function V(x) is independe nt of time. On the other hand V(x) is naturally reduced to a constant independe nt of x if G is uniform in space, in other words, if the medium is in an eigenstate of the total momentum operator ...
Probability Current and Current Operators in Quantum Mechanics 1
Probability Current and Current Operators in Quantum Mechanics 1

Aalborg Universitet The effect of time-dependent coupling on non-equilibrium steady states
Aalborg Universitet The effect of time-dependent coupling on non-equilibrium steady states

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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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