A THEORETICAL DETERMINATION OF THE ROVIBRATIONAL ENERGY-LEVELS OF THE WATER MOLECULE

被引:170
作者
CARTER, S [1 ]
HANDY, NC [1 ]
机构
[1] UNIV CAMBRIDGE,CHEM LABS,DEPT THEORET CHEM,CAMBRIDGE CB2 1EW,ENGLAND
关键词
D O I
10.1063/1.452887
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:4294 / 4301
页数:8
相关论文
共 22 条
[1]   LINE POSITIONS AND INTENSITIES IN NU2 BAND OF H2O-16 [J].
CAMYPEYRET, C ;
FLAUD, JM .
MOLECULAR PHYSICS, 1976, 32 (02) :523-537
[2]  
CAMYPEYRET C, 1980, J PHYS LETT-PARIS, V41, pL23, DOI 10.1051/jphyslet:0198000410202300
[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]   IMPROVED POTENTIAL FUNCTIONS FOR BENT AB2 MOLECULES - WATER AND OZONE [J].
CARNEY, GD ;
CURTISS, LA ;
LANGHOFF, SR .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 61 (03) :371-381
[5]   A VARIATIONAL METHOD FOR THE CALCULATION OF VIBRATIONAL LEVELS OF ANY TRIATOMIC MOLECULE [J].
CARTER, S ;
HANDY, NC .
MOLECULAR PHYSICS, 1982, 47 (06) :1445-1455
[6]   A VARIATIONAL METHOD FOR THE CALCULATION OF ROVIBRATIONAL LEVELS OF ANY TRIATOMIC MOLECULE [J].
CARTER, S ;
HANDY, NC ;
SUTCLIFFE, BT .
MOLECULAR PHYSICS, 1983, 49 (03) :745-748
[7]   A METHOD FOR THE DETERMINATION OF THE EIGENVALUES OF A VERY LARGE MATRIX - APPLICATION TO VIBRATIONAL-ENERGY LEVELS [J].
CARTER, S ;
HANDY, NC .
COMPUTER PHYSICS COMMUNICATIONS, 1987, 44 (1-2) :1-9
[8]   AN EFFICIENT PROCEDURE FOR THE CALCULATION OF THE VIBRATIONAL-ENERGY LEVELS OF ANY TRIATOMIC MOLECULE [J].
CARTER, S ;
HANDY, NC .
MOLECULAR PHYSICS, 1986, 57 (01) :175-185
[9]   ANALYTICAL POTENTIALS FOR TRIATOMIC-MOLECULES .9. THE PREDICTION OF ANHARMONIC-FORCE CONSTANTS FROM POTENTIAL-ENERGY SURFACES BASED ON HARMONIC FORCE-FIELDS AND DISSOCIATION-ENERGIES FOR SO2 AND O3 [J].
CARTER, S ;
MILLS, IM ;
MURRELL, JN ;
VARANDAS, AJC .
MOLECULAR PHYSICS, 1982, 45 (05) :1053-1066
[10]   VARIATIONAL CALCULATIONS OF ROTATIONAL-VIBRATIONAL ENERGY-LEVELS OF WATER [J].
CHEN, CL ;
MAESSEN, B ;
WOLFSBERG, M .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (04) :1795-1807