Dirac-Coulomb Hamiltonian in N-Electron Model Spaces

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Title:Dirac-Coulomb Hamiltonian in N-Electron Model Spaces
Creators:
Pestka, Grzegorz
Karwowski, Jacek
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 68, 2, pp. 275-294
Uncontrolled Keywords:Relativistic effects, Configuration interaction, Pauli equation, <i>Ab initio</i> methods, Dirac equation, Quantum chemistry, Symmetric group approach

Abstract

Relations between matrices representing non-relativistic and relativistic <i>N</i>-electron Hamiltonians in <i>N</i>-electron model spaces are analyzed. The model spaces are defined as the antisymmetric parts of products of the <i>N</i>-th Kronecker power of either a two-dimensional (the non-relativistic case) or four-dimensional (the relativistic case) spinor space and of an orbital (or configurational) space. The explicit relation between the matrices corresponding to the relativistic and non-relativistic cases is derived and its practical implications are briefly discussed. <p>

Title:Dirac-Coulomb Hamiltonian in N-Electron Model Spaces
Creators:
Pestka, Grzegorz
Karwowski, Jacek
Uncontrolled Keywords:Relativistic effects, Configuration interaction, Pauli equation, <i>Ab initio</i> methods, Dirac equation, Quantum chemistry, Symmetric group approach
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:68
Number:2
Page Range:pp. 275-294
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc20030275UNSPECIFIED
ID Code:2058
Item Type:Article
Deposited On:06 Feb 2009 17:15
Last Modified:06 Feb 2009 16:15

Citation

Pestka, Grzegorz; Karwowski, Jacek (2003) Dirac-Coulomb Hamiltonian in N-Electron Model Spaces. Collection of Czechoslovak Chemical Communications, 68 (2). pp. 275-294. ISSN 0010-0765

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