New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes
- Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology
- Features detailed reviews written by leading international researchers
Date de parution : 09-2021
Ouvrage de 352 p.
15.2x22.8 cm
Thèmes de New Electron Correlation Methods and their Applications... :
Mots-clés :
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