A NON-EMPIRICAL CALCULATION OF THE LOWEST VIBRATIONAL BAND ORIGINS FOR THE CH-2+ RADICAL USING A NOVEL VIBRATIONAL WAVEFUNCTION

被引：57

作者：

BARTHOLOMAE, R ^{[1
]}

MARTIN, D ^{[1
]}

SUTCLIFFE, BT ^{[1
]}

机构：

[1] UNIV YORK,DEPT CHEM,YORK YO1 5DD,N YORKSHIRE,ENGLAND

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1981年 / 87卷 / 02期

关键词：

D O I：

10.1016/0022-2852(81)90409-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

引用

收藏

页码：367 / 381

页数：15

相关论文

共 14 条

[1] GROUND (2A1) AND FIRST EXCITED (2B1)PI)) STATES OF CH2+ AND BH2
BENDER, CF
SCHAEFER, HF
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 37 (03) : 423 - &
[2] The water vapor molecule
Darling, BT
Dennison, DM
[J]. PHYSICAL REVIEW, 1940, 57 (02): : 128 - 139
[3] CONFIGURATION INTERACTION BY METHOD OF BONDED FUNCTIONS, SOME PRELIMINARY CALCULATIONS
DIERCKSEN, GH
SUTCLIFFE, BT
[J]. THEORETICA CHIMICA ACTA, 1974, 34 (02): : 105 - 114
[4] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[5] Some studies concerning rotating axes and polyatomic molecules
Eckart, C
[J]. PHYSICAL REVIEW, 1935, 47 (07): : 552 - 558
[6] METHODS FOR CONVERGING OPEN-SHELL HARTREE-FOCK WAVE-FUNCTIONS
GUEST, MF
SAUNDERS, VR
[J]. MOLECULAR PHYSICS, 1974, 28 (03) : 819 - 828
[7] GUEST MF, 1977, SPLICE REFERENCE MAN
[8] VIBRATION-ROTATION PROBLEM IN TRIATOMIC MOLECULES ALLOWING FOR A LARGE-AMPLITUDE BENDING VIBRATION
HOUGEN, JT
BUNKER, PR
JOHNS, JWC
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1970, 34 (01) : 136 - &
[9] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &
[10] RALSTON A, 1965, 1ST COURSE NUMERICAL