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Relativistic Multireference Perturbation Theory: Complete Active-Space Second-Order Perturbation Theory (CASPT2) With The Four-Component Dirac Hamiltonian

2008
The relativistic complete active-space second-order perturbation theory (CASPT2) developed for the four-component relativistic Hamiltonian is introduced in this chapter. This method can describe the near-degenerated and dissociated electronic states of molecules involving heavy elements.
Minori Abe   +3 more
openaire   +1 more source

Third-order complete active space self-consistent field based generalized Van Vleck perturbation theory

Chemical Physics Letters, 1993
Abstract A state-selective generalized Van Vleck perturbation theory (GVVPT), correct through third order, for the determination of the electronic structure of polyatomic molecules is presented. The method adapts Kirtman's GVVPT for use with complete active space self-consistent field (CASSCF), and orthogonal complement, zeroth-order many-electron ...
openaire   +1 more source

Completeness theorems for first-order logic analysed in constructive type theory

Journal of Logic and Computation, 2021
Yannick Forster   +2 more
exaly  

Quantifying sample completeness and comparing diversities among assemblages

Ecological Research, 2020
Anne Chao   +2 more
exaly  

CheckV assesses the quality and completeness of metagenome-assembled viral genomes

Nature Biotechnology, 2020
Stephen Nayfach   +2 more
exaly  

Quantification of the completeness of follow-up

Lancet, The, 2002
Douglas G Altman
exaly  

A new era of cancer immunotherapy: converting theory to performance

Ca-A Cancer Journal for Clinicians, 1999
Steven A Rosenberg
exaly  

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