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Volumn 69, Issue 1, 2004, Pages 125051-1250510

Noncollinear and collinear relativistic density-functional program for electric and magnetic properties of molecules

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRIC FIELD EFFECTS; ELECTRODYNAMICS; ELECTRONS; GROUND STATE; KINETIC ENERGY; MAGNETIC FIELD EFFECTS; MAGNETIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RELATIVITY;

EID: 9644308543     PISSN: 10502947     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (59)

References (58)
  • 2
    • 34250926854 scopus 로고
    • V. Fock, Z. Phys. 61, 126 (1930).
    • (1930) Z. Phys. , vol.61 , pp. 126
    • Fock, V.1
  • 23
    • 0003833820 scopus 로고    scopus 로고
    • edited by R.F. Nalewajski, Springer-Verlag, Berlin
    • E. Engel and R.M. Dreizler, in Density Functional Theory II, edited by R.F. Nalewajski, Vol. 181 (Springer-Verlag, Berlin, 1996).
    • (1996) Density Functional Theory II , vol.181
    • Engel, E.1    Dreizler, R.M.2
  • 43
    • 85015743332 scopus 로고    scopus 로고
    • note
    • This is so-called passive rotation (Ref. [34]). An active rotation, namely, the rotation of the coordinate system leads to the same result.
  • 44
    • 85015792463 scopus 로고    scopus 로고
    • note
    • It is also possible to use basis functions for a slightly ionized atom. But this basis cannot be used for all internuclear distances because it cannot adequately represent the molecular system at large internuclear distances.
  • 54
    • 85015772021 scopus 로고    scopus 로고
    • note
    • This procedure can be also used to minimize the difference of the SCF density and model density.
  • 57
    • 85015804664 scopus 로고    scopus 로고
    • note
    • Only matrix elements in the squares may be not equivalent to zero. All other are.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.