COUNTERPOISE-CORRECTED SCF AND GORDON-KIM ELECTRON-GAS INTERACTION POTENTIALS FOR NH3-HE

被引：23

作者：

DAVIS, SL ^{[1
]}

BOGGS, JE ^{[1
]}

MEHROTRA, SC ^{[1
]}

机构：

[1] TATA INST FUNDAMENTAL RES,BOMBAY 400005,INDIA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1979年 / 71卷 / 03期

关键词：

D O I：

10.1063/1.438445

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：1418 / 1425

页数：8

共 37 条

[1] CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
BOYS, SF
BERNARDI, F
[J]. MOLECULAR PHYSICS, 1970, 19 (04) : 553 - &
[2] BASIS SET EFFECTS IN SCF CALCULATIONS OF INTERACTION ENERGY BETWEEN CLOSED-SHELL ATOMS
BULSKI, M
CHALASINSKI, G
[J]. THEORETICA CHIMICA ACTA, 1977, 44 (04): : 399 - 404
[3] AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES
CLEMENTI, E
[J]. IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) : 2 - &
[4] ELECTRON-GAS MODEL FOR OPEN SHELL-CLOSED SHELL INTERACTIONS .2. APPLICATION TO ALKALI MONOXIDES
CLUGSTON, MJ
GORDON, RG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (01) : 244 - 247
[5] ELECTRON-GAS MODEL FOR OPEN SHELL-CLOSED SHELL INTERACTIONS .1. APPLICATION TO EMISSION-SPECTRA OF DIATOMIC NOBLE-GAS HALIDES
CLUGSTON, MJ
GORDON, RG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (01) : 239 - 243
[6] CLUGSTON MJ, 1977, J CHEM PHYS, V67, P3965, DOI 10.1063/1.435413
[7] RATE CONSTANTS FOR ROTATIONAL EXCITATION IN NH3-HE COLLISIONS
DAVIS, SL
BOGGS, JE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (06) : 2355 - 2366
[8] OBSERVATION OF DELTAK=+/-3 TRANSITIONS IN NH3-H2 COLLISIONS
FABRIS, AR
OKA, T
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (06) : 3168 - &
[9] HARTREE-FOCK INTERACTION POTENTIAL BETWEEN A RIGID ASYMMETRIC TOP AND A SPHERICAL ATOM - (H2CO,HE)
GARRISON, BJ
LESTER, WA
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (04) : 1449 - 1454
[10] EFFECT OF ELECTRON CORRELATION ON H2CO-HE INTERACTION POTENTIAL
GARRISON, BJ
LESTER, WA
SIEGBAHN, P
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (10) : 4167 - 4170

← 1 2 3 4 →