Zobrazeno 1 - 10
of 139
pro vyhledávání: '"V. Kvasnička"'
Publikováno v:
Chemical Physics Letters. 173:33-36
The coupled-cluster method in an open-shell version with non-Hermitian model interaction is applied for direct calculation of vertical ionization potentials of closed-shell molecular systems. The theory is illustrated by calculation of vertical ioniz
Autor:
V. Kvasnička
Publikováno v:
Molecular Similarity and Reactivity ISBN: 9789048145096
Molecular Similarity and Reactivity
Molecular Similarity and Reactivity
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ef73e8400a2c4f49967ad6bf4320e77c
https://doi.org/10.1007/978-94-015-8488-3_9
https://doi.org/10.1007/978-94-015-8488-3_9
Publikováno v:
Physical Review A. 10:2016-2026
Autor:
V. Kvasnička, R. Polák
Publikováno v:
Czechoslovak Journal of Physics. 23:1298-1304
The Hartree-Fock perturbation theory for theN-electron system with a one-particle perturbation is rederived using the resolvent operator formalism. It is shown that the second-order contribution to the total energy can be expressed in a compact form
Autor:
V. Kvasnička
Publikováno v:
Czechoslovak Journal of Physics. 27:599-628
A diagrammatic construction of formal E-independent model interaction (i.e. without second-quantization formalism) is suggested. We start from the quasi-degenerate Brillouin-Wigner perturbation theory, in framework of which an E-dependent model hamil
Autor:
V. Kvasnička
Publikováno v:
International Journal of Quantum Chemistry. 21:1003-1017
A systematic permutation-group approach for both the classification and description of the Feynman–Goldstone diagrams is presented. It allows us to “algebraize” the topological concepts and notions of many-body diagrammatic techniques, for exam
Autor:
V. Kvasnička
Publikováno v:
Czechoslovak Journal of Physics. 25:371-391
Starting from the Hugenholtz diagrammatic technique (resolvent operator and factorization theorem with complex convolution) a quasi-degenerate many-body Rayleigh-Schrodinger perturbation theory is derived. This derivation is based on an algebraic sim
Autor:
V. Kvasnička
Publikováno v:
Czechoslovak Journal of Physics. 32:947-979
A second-quantization formalism for systems of interacting free elementary particles and their bound clusters is presented. A modified version of the Feynman-Goldstone diagrammatic technique is used for the classification and evaluation of individual
Autor:
S. Biskupič, V. Kvasnička
Publikováno v:
Czechoslovak Journal of Physics. 35:1138-1145
A diagrammatic perturbation-theory method for direct calculation of spin-density matrix of open-shellN-electron systems described by the restricted Hartree-Fock one-particle functions is formulated. The formulae correct up to the second order of pert
Autor:
V. Kvasnička
Publikováno v:
Physical Review A. 25:671-680