AB-INITIO VALENCE BOND CALCULATIONS ON HE-HE POTENTIAL CURVE USING SMALL BASES

被引:26
作者
WORMER, PES [1 ]
VANBERKEL, T [1 ]
VANDERAVOIRD, A [1 ]
机构
[1] UNIV NIJMEGEN,INST THEORET CHEM,NIJMEGEN,NETHERLANDS
关键词
D O I
10.1080/00268977500101001
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:1181 / 1188
页数:8
相关论文
共 25 条
[1]   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-+
[2]   AB INITIO CALCULATION OF HELIUM-HELIUM 1SIGMAG+ POTENTIAL AT INTERMEDIATE AND LARGE SEPARATIONS [J].
BERTONCI.P ;
WAHL, AC .
PHYSICAL REVIEW LETTERS, 1970, 25 (15) :991-&
[3]   AB-INITIO CALCULATION OF HELIUM-HELIUM X1SIGMAG+ POTENTIAL AT INTERMEDIATE AND LARGE SEPARATIONS .2. CHANGES IN INTRA-ATOMIC CORRELATION ENERGY [J].
BERTONCINI, PJ ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) :1259-1261
[4]   PERTURBATIVE AB-INITIO CALCULATIONS OF INTERMOLECULAR ENERGIES .2. HE-HE PROBLEM [J].
DAUDEY, JP ;
MALRIEU, JP ;
ROJAS, O .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (01) :17-28
[5]   INTERMOLECULAR POTENTIALS FROM CROSSED BEAM DIFFERENTIAL ELASTIC-SCATTERING MEASUREMENTS .5. ATTRACTIVE WELL OF HE2 [J].
FARRAR, JM ;
LEE, YT .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (12) :5801-+
[6]   SINGLE-CONFIGURATION WAVEFUNCTIONS AND POTENTIAL CURVES FOR GROUND STATES OF HE2 NE2 AND AR2 [J].
GILBERT, TL ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (09) :3425-&
[7]   MULTICONFIGURATION WAVEFUNCTIONS OBTAINED BY APPLICATION OF GENERALIZED BRILLOUIN THEOREM [J].
GREIN, F ;
CHANG, TC .
CHEMICAL PHYSICS LETTERS, 1971, 12 (01) :44-&
[8]   STUDIES OF THE INTERACTION BETWEEN STABLE MOLECULES AND ATOMS .2. INTERACTION BETWEEN 2 HE ATOMS [J].
GRIFFING, V ;
WEHNER, JF .
JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (06) :1024-1028
[9]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[10]   ON THE ORBITAL APPROACH TO THE MANY-ELECTRON PROBLEM IN MOLECULE [J].
HUZINAGA, S .
PROGRESS OF THEORETICAL PHYSICS, 1958, 20 (01) :15-34