A VARIATIONAL CALCULATION OF THE ROTATION VIBRATION ENERGIES FOR H2O FROM ABINITIO DATA

被引:8
作者
JENSEN, P
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D O I
10.1016/0022-2860(88)80280-1
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 ;
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页码:149 / 161
页数:13
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共 31 条
[1]   THE QUARTIC FORCE-FIELD OF H2O DETERMINED BY MANY-BODY METHODS .2. EFFECTS OF TRIPLE EXCITATIONS [J].
BARTLETT, RJ ;
COLE, SJ ;
PURVIS, GD ;
ERMLER, WC ;
HSIEH, HC ;
SHAVITT, I .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (11) :6579-6591
[2]   VIBRATION-ROTATION OPERATORS OF FORM Q-2(J)2 [J].
BIRSS, FW .
MOLECULAR PHYSICS, 1976, 31 (02) :491-500
[3]   HIGHER RO-VIBRATIONAL LEVELS OF H2O DEDUCED FROM HIGH-RESOLUTION OXYGEN-HYDROGEN FLAME SPECTRA BETWEEN 6200 AND 9100 CM-1 [J].
CAMYPEYRET, C ;
FLAUD, JM ;
MAILLARD, JP ;
GUELACHVILI, G .
MOLECULAR PHYSICS, 1977, 33 (06) :1641-1650
[4]   MU2 FUNDAMENTAL VIBRATION-ROTATION BAND OF T2O [J].
CARPENTER, RA ;
STAATS, PA ;
MORGAN, HW ;
GAILAR, NM .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1972, 44 (02) :197-+
[5]  
CARTER S, 1986, COMPUT PHYS REP, V5, P115, DOI 10.1016/0167-7977(86)90006-7
[6]   A THEORETICAL DETERMINATION OF THE ROVIBRATIONAL ENERGY-LEVELS OF THE WATER MOLECULE [J].
CARTER, S ;
HANDY, NC .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (08) :4294-4301
[7]  
COMEAU DC, UNPUB
[8]  
FAYT A, 1972, CR ACAD SCI B PHYS, V275, P459
[9]   THE NU-2 BAND OF HD16O [J].
FLAUD, JM ;
CAMYPEYRET, C ;
MAHMOUDI, A ;
GUELACHVILI, G .
INTERNATIONAL JOURNAL OF INFRARED AND MILLIMETER WAVES, 1986, 7 (07) :1063-1090
[10]  
FLAUD JM, 1981, WATER VAPOUR LINE PA