学术探索
学术期刊
新闻热点
数据分析
智能评审

ANALYTIC ENERGY 3RD DERIVATIVES FOR PAIRED-EXCITED MULTICONFIGURATION SELF-CONSISTENT-FIELD WAVE-FUNCTIONS

被引：4
作者：
DURAN, M
YAMAGUCHI, Y
REMINGTON, RB
OSAMURA, Y
SCHAEFER, HF
机构：
[1] UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
[2] UNIV GEORGIA, SCH CHEM SCI, CTR COMP QUANTUM CHEM, ATHENS, GA 30602 USA
来源：
JOURNAL OF CHEMICAL PHYSICS | 1989年 / 90卷 / 01期
关键词：
D O I：
10.1063/1.456534
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：334 / 345
页数：12
相关论文
共 76 条
  • [41] Mills I. M., 1972, Molecular Spectroscopy: Modern Research, P115
  • [42] Mills I. M., 1974, THEORETICAL CHEMISTR, V1, P110
  • [43] ANHARMONIC CONSTANTS AND AVERAGE STRUCTURE OF AMMONIA
    MORINO, Y
    KUCHITSU, K
    YAMAMOTO, S
    [J]. SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1968, A 24 (04): : 335 - &
  • [44] THE VIBRATION-ROTATION ENERGIES OF MOLECULES
    NIELSEN, HH
    [J]. REVIEWS OF MODERN PHYSICS, 1951, 23 (02) : 90 - 136
  • [45] CORRESPONDENCE BETWEEN HIGHER-ORDER ENERGY DERIVATIVE FORMALISMS FOR RESTRICTED HARTREE-FOCK AND CORRELATED WAVE-FUNCTIONS
    OSAMURA, Y
    YAMAGUCHI, Y
    SCHAEFER, HF
    [J]. THEORETICA CHIMICA ACTA, 1987, 72 (02): : 93 - 122
  • [46] GENERALIZATION OF ANALYTIC ENERGY DERIVATIVES FOR CONFIGURATION-INTERACTION WAVE-FUNCTIONS
    OSAMURA, Y
    YAMAGUCHI, Y
    SCHAEFER, HF
    [J]. THEORETICA CHIMICA ACTA, 1987, 72 (02): : 71 - 91
  • [47] 2ND-ORDER COUPLED PERTURBED HARTREE-FOCK EQUATIONS FOR CLOSED-SHELL AND OPEN-SHELL SELF-CONSISTENT-FIELD WAVE-FUNCTIONS
    OSAMURA, Y
    YAMAGUCHI, Y
    SCHAEFER, HF
    [J]. CHEMICAL PHYSICS, 1986, 103 (2-3) : 227 - 242
  • [48] Papousek D., 1982, MOL VIBRATIONAL ROTA
  • [49] INFRARED FLASH KINETIC SPECTROSCOPY - THE NU-1 AND NU-3 SPECTRA OF SINGLET METHYLENE
    PETEK, H
    NESBITT, DJ
    OGILBY, PR
    MOORE, CB
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (26) : 5367 - 5371
  • [50] VISIBLE ABSORPTION AND MAGNETIC-ROTATION SPECTROSCOPY OF (CH2)-C-1 - ANALYSIS OF THE 1A1 STATE AND THE 1A1-3B1 COUPLING
    PETEK, H
    NESBITT, DJ
    MOORE, CB
    BIRSS, FW
    RAMSAY, DA
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (03) : 1189 - 1205
12345678