THE VARIATIONAL METHOD FOR THE CALCULATION OF RO-VIBRATIONAL ENERGY-LEVELS

被引：0
|
作者：
CARTER, S [1 ]
HANDY, NC [1 ]
机构：
[1] UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CB2 1EW, ENGLAND
来源：
COMPUTER PHYSICS REPORTS | 1986年 / 5卷 / 03期
关键词：
D O I：
暂无
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
引用
收藏
页码：115 / 172
页数：58
相关论文
共 50 条
  • [21] BEYOND RO-VIBRATIONAL SEPARATION
    TENNYSON, J
    MILLER, S
    SUTCLIFFE, BT
    JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1988, 84 : 1295 - 1303
  • [22] NEW METHOD FOR THE EXACT CALCULATION OF VIBRATIONAL-ROTATIONAL ENERGY-LEVELS OF TRIATOMIC-MOLECULES
    SHAPIRO, M
    BALINTKURTI, GG
    JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (03): : 1461 - 1469
  • [23] VARIATIONAL-METHODS FOR THE CALCULATION OF ROVIBRATIONAL ENERGY-LEVELS OF SMALL MOLECULES
    SUTCLIFFE, BT
    TENNYSON, J
    JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1987, 83 : 1663 - 1674
  • [24] TRIATOM - PROGRAMS FOR THE CALCULATION OF RO-VIBRATIONAL SPECTRA OF TRIATOMIC-MOLECULES
    TENNYSON, J
    MILLER, S
    LESUEUR, CR
    COMPUTER PHYSICS COMMUNICATIONS, 1993, 75 (03) : 339 - 364
  • [25] A VARIATIONAL METHOD FOR THE DETERMINATION OF THE VIBRATIONAL (J=0) ENERGY-LEVELS OF ACETYLENE, USING A HAMILTONIAN IN INTERNAL COORDINATES
    CARTER, S
    HANDY, NC
    COMPUTER PHYSICS COMMUNICATIONS, 1988, 51 (1-2) : 49 - 58
  • [26] Quantum calculation of ro-vibrational states: Methodology and DOCl application results
    Zhang, Hong
    Hankel, Marlies
    Smith, Sean C.
    Nanbu, Shinkoh
    Nakamura, Hiroki
    JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (17): : 4141 - 4147
  • [27] Formalism of the displaced squeezed Fock states for variational calculations of highly excited ro-vibrational levels: Diatomic molecules
    Rey, M.
    Michelot, F.
    Tyuterev, Vl. G.
    PHYSICAL REVIEW A, 2008, 78 (02):
  • [28] A PROGRAM SUITE FOR THE CALCULATION OF RO-VIBRATIONAL SPECTRA OF TRIATOMIC-MOLECULES
    TENNYSON, J
    MILLER, S
    COMPUTER PHYSICS COMMUNICATIONS, 1989, 55 (02) : 149 - 175
  • [29] RO-VIBRATIONAL ENERGY JACOBIANS WITH RESPECT TO CORIOLIS ZETA COEFFICIENTS
    NEMES, L
    ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1975, 39 (01): : 59 - 74
  • [30] Aspects of the Eckart frame ro-vibrational kinetic energy operator
    Szalay, Viktor
    JOURNAL OF CHEMICAL PHYSICS, 2015, 143 (06):
12345