ATOMS-IN-MOLECULES CALCULATIONS ON DIATOMIC FRAGMENTS OF POLYATOMIC SYSTEMS - HEH AND HEH+

被引:29
作者
POLAK, R [1 ]
VOJTIK, J [1 ]
PAIDAROVA, I [1 ]
SCHNEIDER, F [1 ]
机构
[1] ACAD SCI GDR, CENT INST PHYS CHEM, DDR-1199 BERLIN, GERMANY
关键词
D O I
10.1016/0301-0104(81)85019-7
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
收藏
页码:183 / 191
页数:9
相关论文
共 39 条
[1]   GENERAL ANALYSIS OF VARIOUS METHODS OF ATOMS IN MOLECULES [J].
ARAI, T .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :370-400
[2]   MULTISTRUCTURE VALENCE-BOND AND ATOMS-IN-MOLECULES CALCULATIONS FOR LIF F2 AND F2- [J].
BALINTKURTI, GG ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (01) :478-+
[3]   NONEMPIRICAL LCAO-MO-SCF STUDY OF ENERGY SURFACE FOR LINEAR HEH2+ [J].
BROWN, PJ ;
HAYES, EF .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :922-&
[4]   OPTIMIZED DIATOMICS-IN-MOLECULES POTENTIAL ENERGIES FOR H-3 AND H-4 [J].
EAKER, CW ;
PARR, CA .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (12) :5155-5160
[5]   OPTIMIZATION OF DIATOMIC STATE MIXING IN DIATOMICS IN MOLECULES THEORY - CHN POTENTIAL-ENERGY SURFACES [J].
EAKER, CW ;
PARR, CA .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (04) :1322-1332
[6]   HYDROGEN BONDING OF H2+ TO HE ATOM - ENERGY SURFACE FOR LINEAR HEH2+ [J].
EDMISTON, C ;
DOOLITTLE, J ;
MURPHY, K ;
TANG, KC ;
WILLSON, W .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (07) :3419-+
[7]   NEW SCALED ATOMS-IN-MOLECULES THEORY FOR PREDICTING DIATOMIC POTENTIAL-ENERGY CURVES .I. GENERAL THEORY AND APPLICATION TO H2 AND HE2++ [J].
ELLISON, FO ;
WU, AJA .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (11) :4408-&
[8]   ATOMS-IN-MOLECULES THEORY - NON-HERMITIAN FORMULATION [J].
ELLISON, FO .
THEORETICA CHIMICA ACTA, 1979, 51 (03) :241-246
[10]   CALCULATION OF HE-H INTERACTION ENERGY [J].
FISCHER, CR ;
KEMMEY, PJ .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01) :50-&