A NEW ALGORITHM FOR THE VARIATIONAL SOLUTION OF THE VIBRONIC PROBLEM FOR POLYATOMIC-MOLECULES

被引：0
|
作者：
BARANOV, VI
ZELENTSOV, DY
机构：
来源：
JOURNAL OF STRUCTURAL CHEMISTRY | 1994年 / 35卷 / 06期
关键词：
D O I：
10.1007/BF02578106
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
A new effective algorithm for solving the complete vibronic problem by the variational method is proposed. The algorithm reduces the variational matrix by successively including the shift and entanglement of normal coordinates and using recurrent formulas for determining the eigenvectors of the matrix. No additional approximations are used. The method is faster than those used previously by two or more orders of magnitude.
引用
收藏
页码：773 / 778
页数：6
相关论文
共 50 条
  • [41] QUANTUM BEATS IN POLYATOMIC-MOLECULES
    LENDI, K
    CHEMICAL PHYSICS, 1980, 46 (1-2) : 179 - 190
  • [42] PHOTODISSOCIATION DYNAMICS OF POLYATOMIC-MOLECULES
    GELBART, WM
    ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1977, 28 : 323 - 348
  • [43] SHAPES AND ENERGETICS OF POLYATOMIC-MOLECULES
    SCHNUELL.GW
    PARR, RG
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (26) : 8974 - 8983
  • [44] POLYATOMIC-MOLECULES IN DIFFUSE CLOUDS
    HALL, P
    WILLIAMS, DA
    ASTROPHYSICS AND SPACE SCIENCE, 1995, 229 (01) : 49 - 61
  • [45] ISOTOPIC RELATIONSHIPS FOR POLYATOMIC-MOLECULES
    MAKUSHKIN, YS
    ULENIKOV, ON
    OPTIKA I SPEKTROSKOPIYA, 1975, 39 (04): : 629 - 636
  • [46] DISSOCIATION DYNAMICS OF POLYATOMIC-MOLECULES
    UZER, T
    ADVANCES IN ATOMIC AND MOLECULAR PHYSICS, 1988, 25 : 417 - 436
  • [47] EXCITATION OF POLYATOMIC-MOLECULES BY RADIATION
    LARSEN, DM
    BLOEMBERGEN, N
    OPTICS COMMUNICATIONS, 1976, 17 (03) : 254 - 258
  • [48] LEVEL DENSITIES FOR POLYATOMIC-MOLECULES
    WITSCHEL, W
    GROSSWENDT, B
    BOHMANN, J
    PTB-MITTEILUNGEN, 1977, 87 (01): : 3 - 12
  • [49] VIBRATIONAL LINESHAPES OF POLYATOMIC-MOLECULES
    KOSZYKOWSKI, ML
    LIU, WK
    NOID, DW
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1982, 183 (MAR): : 95 - PHYS
  • [50] DISSOCIATION PROCESSES OF POLYATOMIC-MOLECULES
    BAND, YB
    FREED, KF
    JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (08): : 3382 - 3397
12345