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International Journal of Quantum Chemistry

Volumn 89, Issue 4, 2002, Pages 227-236

The Dirac equation in the algebraic approximation: VIII. Comparison of finite basis set and finite element molecular Dirac-Hartree-Fock calculations for the H2, LiH, and BH ground states

(5) Kuleff, A I a Delchev, Y I a Yotov, P Tz b Mineva, Tz b Maruani, J c

a INSTITUTE FOR NUCLEAR RESEARCH AND NUCLEAR ENERGY (Bulgaria)

b SORBONNE UNIVERSITÉ (France)

c BULGARIAN ACADEMY OF SCIENCES (Bulgaria)

Author keywords

Algebraic approximation; Distributed Gaussian basis sets; Finite basis sets; Finite element method; Molecular Dirac Hartree Fock theory

Indexed keywords

APPROXIMATION THEORY; FINITE ELEMENT METHOD; GROUND STATE; NUMERICAL ANALYSIS; OPTIMIZATION;

ALGEBRAIC APPROXIMATION; DIRAC EQUATION; DIRAC-HARTRE-FOCK CALCULATIONS;

MOLECULAR DYNAMICS;

EID: 0037026318 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/qua.10294 Document Type: Conference Paper

Times cited : (4)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.