MANY-BODY RAYLEIGH-SCHRODINGER PERTURBATION CALCULATIONS OF THE CORRELATION-ENERGY OF OPEN-SHELL MOLECULES IN THE RESTRICTED ROOTHAAN-HARTREE-FOCK FORMALISM - APPLICATION TO HEATS OF REACTION AND ENERGIES OF ACTIVATION

被引：20

作者：

CARSKY, P

ZAHRADNIK, R

HUBAC, I

URBAN, M

KELLO, V

机构：

[1] COMENIUS UNIV, FAC SCI, DEPT PHYS CHEM, CS-81631 BRATISLAVA, CZECHOSLOVAKIA

[2] COMENIUS UNIV, FAC SCI, DEPT BIOPHYS, CS-81631 BRATISLAVA, CZECHOSLOVAKIA

来源：

THEORETICA CHIMICA ACTA | 1980年 / 56卷 / 04期

关键词：

D O I：

10.1007/BF00552595

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：315 / 328

页数：14

共 23 条

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