Titlebook: Density Functional Methods in Chemistry; Jan K. Labanowski,Jan W. Andzelm Book 1991 Springer-Verlag New York, Inc. 1991 adsorption.algorit

Madrigal

混合

lactic

Halfhearted

Correlation Contributions from Density Functionals,y Hohenberg and Kohn (1964) and much progress has been made along this line (see, e.g., the contributions of Becke, Levy, or Parr to this volume). On the other hand, it is well-known that wave-functions can be improved systematically by increasing the number of Slater determinants used. Several atte

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miscreant

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Senescent

https://doi.org/10.1007/978-3-322-83494-2 gas phase. The ground state is calculated to have .E symmetry and the first excited state .A.. symmetry. Further calculations of low lying states of Fe(II)porphine show that both singlet and quintet spin states are higher in energy.