New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes
portes grátis
New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes
Musial, Monika; Hoggan, Philip E.
Elsevier Science Publishing Co Inc
09/2021
352
Dura
Inglês
9780128235461
15 a 20 dias
450
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Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
Analytic gradients; Anharmonic; Atoms; Average values; B functions; Basis-set dependence; Born-Oppenheimer potential; Bunge's interpretation; Complex Gaussian; Configuration interaction; Configuration state functions; Continuum states; Convolution integrals; Copenhagen interpretation; Couple cluster theory; coupled cluster theory; Coupled-cluster; Density matrix cumulants; Diatomic molecules; Dipole polarizability; Double electron affinity; E-Hy-CI; Electron affinity; Electron correlation; Embedding methods; Equation-of-motion coupled cluster method; Excited states; Explicit correlation; Explicitly correlated methods; Exponentially correlated Hylleraas-configuration interaction; Extremely localized molecular orbitals (ELMOs); Fock space coupled cluster method; Fourier transformation; Generalized Sturmian functions; Ground-state; Hy-CI; Hydrogen molecule; Hydrogen production; Infrared; Ionization potential; Jastrow cutoff radii; KH molecule; KH+ molecular ion; Linear and nonlinear orders; Local approximations; Molecular integrals; Molecular Properties; Molecules; Nonrepresentational framework; Oganesson; Perturbation theory; Photoionization; Photonic framework; Polarization propagator; Popper's theses; Potential energy curves; Prolate spheroidal coordinates; QM/ELMO technique; QM/QM' strategies; Quantum mechanics and consciousness; Realist interpretation; Reduced Bessel functions; Reduced generic Jastrow; Relativistic methods; Response theory; Selected configuration interaction; Selective; Slater-type orbitals (STOs); Spectral methods; Spectroscopic constants; Spin adaptation; Superheavy elements; TDDFT; transition probabilities; Two-range addition theorems; Valence excited states; VMC energy minima; VPT2; XCC theory
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
Analytic gradients; Anharmonic; Atoms; Average values; B functions; Basis-set dependence; Born-Oppenheimer potential; Bunge's interpretation; Complex Gaussian; Configuration interaction; Configuration state functions; Continuum states; Convolution integrals; Copenhagen interpretation; Couple cluster theory; coupled cluster theory; Coupled-cluster; Density matrix cumulants; Diatomic molecules; Dipole polarizability; Double electron affinity; E-Hy-CI; Electron affinity; Electron correlation; Embedding methods; Equation-of-motion coupled cluster method; Excited states; Explicit correlation; Explicitly correlated methods; Exponentially correlated Hylleraas-configuration interaction; Extremely localized molecular orbitals (ELMOs); Fock space coupled cluster method; Fourier transformation; Generalized Sturmian functions; Ground-state; Hy-CI; Hydrogen molecule; Hydrogen production; Infrared; Ionization potential; Jastrow cutoff radii; KH molecule; KH+ molecular ion; Linear and nonlinear orders; Local approximations; Molecular integrals; Molecular Properties; Molecules; Nonrepresentational framework; Oganesson; Perturbation theory; Photoionization; Photonic framework; Polarization propagator; Popper's theses; Potential energy curves; Prolate spheroidal coordinates; QM/ELMO technique; QM/QM' strategies; Quantum mechanics and consciousness; Realist interpretation; Reduced Bessel functions; Reduced generic Jastrow; Relativistic methods; Response theory; Selected configuration interaction; Selective; Slater-type orbitals (STOs); Spectral methods; Spectroscopic constants; Spin adaptation; Superheavy elements; TDDFT; transition probabilities; Two-range addition theorems; Valence excited states; VMC energy minima; VPT2; XCC theory
