COMPARISON OF ELECTRON-GAS AND ABINITIO POTENTIALS FOR THE N2 N2 INTERACTIONS - APPLICATION IN THE SECOND VIRIAL-COEFFICIENT

被引：30

作者：

VANHEMERT, MC ^{[1
]}

BERNS, RM ^{[1
]}

机构：

[1] CATHOLIC UNIV NIJMEGEN,INST THEORET CHEM,NIJMEGEN,NETHERLANDS

来源：

JOURNAL OF CHEMICAL PHYSICS | 1982年 / 76卷 / 01期

关键词：

D O I：

10.1063/1.442730

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：354 / 361

页数：8

相关论文

共 29 条

[1] BAGUS PS, 1972, SELECTED TOPICS MOL, P187
[2] N-2-N-2 INTERACTION POTENTIAL FROM ABINITIO CALCULATIONS, WITH APPLICATION TO THE STRUCTURE OF (N-2)2
BERNS, RM
VANDERAVOIRD, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (11) : 6107 - 6116
[3] Brink D. M., 1975, ANGULAR MOMENTUM
[4] NUMERICAL HARTREE-FOCK CALCULATIONS FOR N-2, FH, AND CO - COMPARISON WITH OPTIMIZED LCAO RESULTS
CHRISTIANSEN, PA
MCCULLOUGH, EA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (05) : 1877 - 1882
[5] SIMPLE BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING FIRST- + SECOND-ROW ATOMS
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (07) : 1944 - &
[6] MODIFIED STATISTICAL METHOD FOR INTERMOLECULAR POTENTIALS COMBINING RULES FOR HIGHER VANDERWAALS COEFFICIENTS
COHEN, JS
PACK, RT
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (06) : 2372 - 2382
[7] INTERACTION POTENTIALS FOR HE-HF AND AR-HF USING GORDON-KIM METHOD
DETRICH, J
CONN, RW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (08) : 3091 - 3096
[8] Dymond J. H., 1969, VIRIAL COEFFICIENT G
[9] NITROGEN PAIR POTENTIAL
EVANS, DJ
[J]. MOLECULAR PHYSICS, 1977, 33 (04) : 979 - 986
[10] GARRISON BJ, 1975, J CHEM PHYS, V64, P1449