Accurate prediction of heat of formation by combining Hartree-Fock/density functional theory calculation with linear regression correction approach

Journal of Chemical Physics

Volumn 121, Issue 15, 2004, Pages 7086-7095

  Duan, Xue Mei ^a   Song, Guo Liang ^a   Li, Zhen Hua ^a   Wang, Xiu Jun ^b   Chen, Guan Hua ^a,b   Fan, Kang Nian ^a  

^a FUDAN UNIVERSITY   (China)

^b UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTATIONAL METHODS; GROUND STATE; IONIZATION; PROBABILITY DENSITY FUNCTION; REGRESSION ANALYSIS;

ATOMIZATION ENERGIES; ELECTRON CORRELATION ENERGY; HARTREE-FOCK CALCULATION; IONIZATION POTENTIAL;

QUANTUM THEORY;

EID: 8344234213     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1786582     Document Type: Article

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