ELECTRONIC-STRUCTURE OF NITROGEN-DIOXIDE .1. MULTICONFIGURATION SELF-CONSISTENT-FIELD CALCULATION OF LOW-LYING ELECTRONIC STATES

被引:275
作者
GILLISPIE, GD
KHAN, AU
WAHL, AC
HOSTENY, RP
KRAUSS, M
机构
[1] MICHIGAN STATE UNIV,DEPT CHEM,E LANSING,MI 48824
[2] ARGONNE NATL LAB,CHEM DIV,ARGONNE,IL 60439
[3] NBS,WASHINGTON,DC 20234
[4] MICHIGAN STATE UNIV,DEPT BIOPHYS,E LANSING,MI 48824
关键词
D O I
10.1063/1.431780
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:3425 / 3444
页数:20
相关论文
共 47 条
[41]   ANALYSIS OF POLYATOMIC SPECTRA USING TUNABLE LASER-INDUCED FLUORESCENCE - APPLICATIONS TO NO2 VISIBLE BAND SYSTEM [J].
STEVENS, CG ;
SWAGEL, MW ;
WALLACE, R ;
ZARE, RN .
CHEMICAL PHYSICS LETTERS, 1973, 18 (04) :465-469
[42]   ROTATIONAL ANALYSIS OF 5933 A BAND OF NO2 [J].
STEVENS, CG ;
ZARE, RN .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1975, 56 (02) :167-187
[43]   STUDY OF GROUND-STATE POTENTIAL CURVE AND DIPOLE-MOMENT OF OH BY METHOD OF OPTIMIZED VALENCE CONFIGURATIONS [J].
STEVENS, WJ ;
DAS, G ;
WAHL, AC ;
KRAUSS, M ;
NEUMANN, D .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (09) :3686-3699
[44]   MICROWAVE OPTICAL DOUBLE-RESONANCE AND FLUORESCENCE-SPECTRUM OF NO2 EXCITED BY 4579 A LINE OF ARGON-ION LASER [J].
TANAKA, T ;
ABE, K ;
CURL, RF .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1974, 49 (02) :310-313
[45]   THE ELECTRONIC ORBITALS, SHAPES, AND SPECTRA OF POLYATOMIC MOLECULES .2. NON-HYDRIDE AB2 AND BAC MOLECULES [J].
WALSH, AD .
JOURNAL OF THE CHEMICAL SOCIETY, 1953, (AUG) :2266-2288
[46]   INFRARED SPECTRUM OF N15O2 AND FORCE CONSTANTS OF NO2 [J].
WESTON, RE .
JOURNAL OF CHEMICAL PHYSICS, 1957, 26 (05) :1248-1251
[47]  
WILSON CW, 1973, REPORT RESEARCH ARPA