ANALYTICAL CALCULATION OF MCSCF DIPOLE-MOMENT DERIVATIVES

被引：52

作者：

HELGAKER, TU ^{[1
]}

JENSEN, HJA ^{[1
]}

JORGENSEN, P ^{[1
]}

机构：

[1] AARHUS UNIV, DEPT CHEM, DK-8000 AARHUS, DENMARK

来源：

JOURNAL OF CHEMICAL PHYSICS | 1986年 / 84卷 / 11期

关键词：

D O I：

10.1063/1.450772

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：6280 / 6284

页数：5

相关论文

共 35 条

[1] STARK SPECTROSCOPY WITH CO LASER - V1 FUNDAMENTAL BAND OF NITROSYL FLUORIDE, FNO, AT 5.42 MUM
ALLEGRINI, M
JOHNS, JWC
MCKELLAR, ARW
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1978, 73 (01) : 168 - 179
[2] ALMLOF J, 1974, USIP7429 U STOCKH RE
[3] DIPOLE-MOMENT DERIVATIVES OF H2O AND H2S
AMOS, RD
[J]. CHEMICAL PHYSICS LETTERS, 1984, 108 (02) : 185 - 190
[4] SCF DIPOLE-MOMENT DERIVATIVES, HARMONIC FREQUENCIES AND INFRARED INTENSITIES FOR C2H2 AND C2H4
AMOS, RD
[J]. CHEMICAL PHYSICS LETTERS, 1985, 114 (01) : 10 - 14
[5] Bratoz S., 1958, COLLOQ INT CENTRE NA, V82, P287
[6] DIPOLE-MOMENT OF WATER FROM STARK MEASUREMENTS OF H2O, HDO, AND D2O
CLOUGH, SA
BEERS, Y
KLEIN, GP
ROTHMAN, LS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (05) : 2254 - 2259
[7] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[8] ESPOSTI CD, 1985, J MOL SPECTROSC, V109, P229
[9] ROTATION-VIBRATION SPECTRA OF DEUTERATED WATER VAPOR
GAILAR, N
PLYLER, EK
[J]. JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (06) : 1139 - 1165
[10] FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .2. APPLICATIONS TO LIMITED BASIS-SET SCF-MO WAVEFUNCTIONS
GERRATT, J
MILLS, IM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (04) : 1730 - &

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