ON THE NECESSITY OF F BASIS FUNCTIONS FOR BENDING FREQUENCIES

被引：201

作者：

SIMANDIRAS, ED

RICE, JE

LEE, TJ

AMOS, RD

HANDY, NC

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 88卷 / 05期

关键词：

D O I：

10.1063/1.453963

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：3187 / 3195

页数：9

共 97 条

[1] THEORETICAL CALCULATION OF OZONE VIBRATIONAL INFRARED INTENSITIES [J].

ADLERGOLDEN, SM ;

LANGHOFF, SR ;

BAUSCHLICHER, CW ;

CARNEY, GD .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (01) :255-264

[2] THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL [J].

AHLRICHS, R ;

SCHARF, P ;

EHRHARDT, C .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) :890-898

[3]

Ahlrichs R., 1987, ADV CHEM PHYS, V67, P501, DOI [10.1002/9780470142936.ch9, DOI 10.1002/9780470142936.CH9]

[4]

Amos R. D., 1987, ADV CHEM PHYS, V67, P99

[5] GEOMETRIES, HARMONIC FREQUENCIES AND INFRARED AND RAMAN INTENSITIES FOR H2O, NH3 AND CH4 [J].

AMOS, RD .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1987, 83 :1595-1607

[6] SCF DIPOLE-MOMENT DERIVATIVES, HARMONIC FREQUENCIES AND INFRARED INTENSITIES FOR C2H2 AND C2H4 [J].

AMOS, RD .

CHEMICAL PHYSICS LETTERS, 1985, 114 (01) :10-14

[7]

AMOS RD, 1987, CADPAC CAMBRIDGE ANA

[8] FORCE CONSTANTS FOR SYMMETRIC STRETCH MOTIONS OF ACETYLENE - ACCURATE ABINITIO CALCULATIONS [J].

BAGUS, PS ;

PACANSKY, J ;

WAHLGREN, U .

JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (02) :618-623

[9] INFRARED BANDS OF (C-12)2HD [J].

BALDACCI, A ;

GHERSETTI, S ;

HURLOCK, SC ;

RAO, KN .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 59 (01) :116-125

[10]

Bartlett R. J., 1984, ADV THEORIES COMPUTA, P127

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