UNRESTRICTED HARTREE-FOCK CALCULATION OF FORCE CONSTANTS AND VIBRATIONAL FREQUENCIES OF HCO RADICAL

被引：74
|
作者：
BOTSCHWINA, P [1 ]
机构：
[1] UNIV MAINZ, LEHRSTUHL PHYS CHEM, MAINZ, WEST GERMANY
来源：
CHEMICAL PHYSICS LETTERS | 1974年 / 29卷 / 01期
关键词：
D O I：
10.1016/0009-2614(74)80141-7
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：98 / 101
页数：4
相关论文
共 50 条
  • [41] Maximum Ionization in Restricted and Unrestricted Hartree-Fock Theory
    Cox, Hazel
    Melgaard, Michael
    Syrjanen, Ville J. J.
    ATOMS, 2021, 9 (01) : 1 - 29
  • [42] UNRESTRICTED HARTREE-FOCK CALCULATIONS FOR A CLUSTER MODEL OF COO
    KLEIN, DL
    SURRATT, GT
    KUNZ, AB
    JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1979, 12 (19): : 3913 - 3919
  • [43] MULTIPLE PROJECTIONS OF UNRESTRICTED HARTREE-FOCK SOLUTIONS IN ACETYLENE
    DANCZ, J
    JORDAN, KD
    JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (07): : 2977 - 2978
  • [44] UNRESTRICTED HARTREE-FOCK CALCULATIONS ON CUBIC CARBON CLUSTERS
    GOLDSTEIN, S
    CURTISS, LA
    EUWEMA, RN
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1976, 21 (03): : 382 - 382
  • [45] UNRESTRICTED HARTREE-FOCK CALCULATIONS FOR A CLUSTER MODEL OF NIO
    SURRATT, GT
    KUNZ, AB
    SOLID STATE COMMUNICATIONS, 1977, 23 (08) : 555 - 558
  • [46] Hartree-Fock and density functional studies on vibrational frequencies of 6-hydroxyquinoline
    Arici, K.
    Koksal, H.
    ASIAN JOURNAL OF CHEMISTRY, 2008, 20 (07) : 5635 - 5642
  • [47] A Hartree-Fock calculation with Yukawa interaction
    Nakada, H
    PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT, 2002, (146): : 442 - 446
  • [48] Hartree-Fock calculation for excited states
    Tassi, M.
    Theophilou, Iris
    Thanos, S.
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2013, 113 (05) : 690 - 693
  • [49] TRUNCATION OF BASIS IN HARTREE-FOCK CALCULATION
    ZOFKA, J
    CZECHOSLOVAK JOURNAL OF PHYSICS SECTION B, 1971, B 21 (10): : 1051 - &
  • [50] CALCULATION OF EXTENDED HARTREE-FOCK WAVEFUNCTIONS
    KALDOR, U
    JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (02): : 835 - &
12345