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Journal of Structural Chemistry, Vol. 41, Iss. 6, 2000-11 ,pp. : 1066-1069

Springer Publishing Company

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Method for evaluation of density functional integrals in molecular calculations

By Bian Qiuping  

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A New Method of Calculating Multicenter Matrix Elements in MO LCAO Theory Using an Exponential Type Basis

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Journal of Structural Chemistry, Vol. 42, Iss. 6, 2001-11 ,pp. : 920-925

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Relaxation Effect of Basis Orbitals on the Properties of Atomic and Molecular Hydrogen Systems

By Ermakov A.   Merkulov A.   Svechnikova A.   Belousov V.  

Journal of Structural Chemistry, Vol. 45, Iss. 6, 2004-11 ,pp. : 929-935

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Intrinsic local constituents of molecular electronic wave functions. I. Exact representation of the density matrix in terms of chemically deformed and oriented atomic minimal basis set orbitals

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Theoretical Chemistry Accounts, Vol. 120, Iss. 1-3, 2008-05 ,pp. : 281-294

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