Pseudospectral approach to relativistic molecular theory

Journal of Chemical Physics

Volumn 121, Issue 8, 2004, Pages 3438-3445

  Nakajima, Takahito ^a,b   Hirao, Kimihiko ^a  

^a UNIVERSITY OF TOKYO   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL CHEMISTRY; ELECTRON-PAIR EXCITATIONS; FOURIER TRANSFORM COULOMB (FTC); POLYNOMIAL EXPANSION;

BAND STRUCTURE; EIGENVALUES AND EIGENFUNCTIONS; EXTRAPOLATION; FOURIER TRANSFORMS; HEAVY METALS; IONIZATION; PHOTOELECTRON SPECTROSCOPY; POLYNOMIALS;

MOLECULAR DYNAMICS;

EID: 4444369301     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1775791     Document Type: Article

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