Results 281 to 290 of about 555,741 (309)
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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
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
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
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, 2021Yannick Forster +2 more
exaly
Quantifying sample completeness and comparing diversities among assemblages
Ecological Research, 2020Anne Chao +2 more
exaly
CheckV assesses the quality and completeness of metagenome-assembled viral genomes
Nature Biotechnology, 2020Stephen Nayfach +2 more
exaly
A Note on Cut Elimination and Completeness in First Order Theories
Mathematical Logic Quarterly, 1972openaire +1 more source
A new era of cancer immunotherapy: converting theory to performance
Ca-A Cancer Journal for Clinicians, 1999Steven A Rosenberg
exaly

