AN OPTIMIZED QUADRATURE SCHEME FOR MATRIX-ELEMENTS OVER THE EIGENFUNCTIONS OF GENERAL ANHARMONIC POTENTIALS

被引:38
作者
SCHWENKE, DW
TRUHLAR, DG
机构
关键词
D O I
10.1016/0010-4655(84)90159-0
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
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页码:57 / 66
页数:10
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共 31 条
[1]   ROTATION-VIBRATION COUPLING IN DIATOMIC-MOLECULES AND FACTORIZATION METHOD .1. CLOSED FORM FORMULAS FOR VIBRATION INTENSITIES [J].
BADAWI, M ;
BESSIS, N ;
BESSIS, G .
CANADIAN JOURNAL OF PHYSICS, 1973, 51 (19) :2075-2085
[2]   ROTATION-VIBRATION COUPLING IN DIATOMIC-MOLECULES AND FACTORIZATION METHOD .2. CLOSED FORM FORMULAS FOR MORSE-PEKERIS INTENSITIES [J].
BADAWI, M ;
BESSIS, N ;
BESSIS, G ;
HADINGER, G .
CANADIAN JOURNAL OF PHYSICS, 1974, 52 (02) :110-119
[3]   CALCULATION OF VIBRATION-ROTATION INTENSITIES OF DIATOMIC MOLECULE BY FACTORIZATION METHOD [J].
BADAWI, M ;
BESSIS, N ;
BESSIS, G .
JOURNAL OF PHYSICS PART B ATOMIC AND MOLECULAR PHYSICS, 1972, 5 (08) :1470-&
[4]   MORSE MATRIX-ELEMENTS - AN ASYMPTOTIC-EXPANSION TREATMENT [J].
CHAKRABORTY, BP .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1982, 22 (01) :73-88
[5]  
CROSS RJ, 1983, J CHEM PHYS, V78, P3869
[6]   ACCURATE ANALYTIC APPROXIMATIONS FOR THE ROTATING MORSE OSCILLATOR - ENERGIES, WAVE-FUNCTIONS, AND MATRIX-ELEMENTS [J].
ELSUM, IR ;
GORDON, RG .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (11) :5452-5457
[7]   VIBRATIONAL TRANSITION-PROBABILITIES WITH AN ASYMPTOTIC-EXPANSION FOR THE MORSE OSCILLATOR [J].
GALLAS, JAC ;
CHAKRABORTY, BP .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1981, 77 :67-70
[8]  
GALLAS JAC, 1978, J CHEM PHYS, V69, P612, DOI 10.1063/1.436625
[9]   SOME MATRIX-ELEMENTS FOR MORSE OSCILLATORS [J].
GALLAS, JAC .
PHYSICAL REVIEW A, 1980, 21 (06) :1829-1834
[10]   UNCERTAINTY PRODUCTS FOR THE ANHARMONIC MORSE OSCILLATOR [J].
GALLAS, JAC .
LETTERE AL NUOVO CIMENTO, 1980, 28 (01) :29-32