APPLICATION OF 2-BODY DENSITY MATRIX OF GROUND-STATE FOR CALCULATIONS OF SOME EXCITED-STATES

被引:19
作者
ROSINA, M [1 ]
机构
[1] UNIV LJUBLJANA, INST JOZEF STEFAN, YU-61000 LJUBLJANA, YUGOSLAVIA
关键词
D O I
10.1002/qua.560130606
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:737 / 742
页数:6
相关论文
共 50 条
[21]   A MULTIREFERENCE COUPLED-CLUSTER STUDY OF THE GROUND-STATE AND LOWEST EXCITED-STATES OF CYCLOBUTADIENE [J].
BALKOVA, A ;
BARTLETT, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (10) :8972-8987
[22]   PARS ORBITAL METHOD .12. ELECTRON LOCALIZATION IN GROUND-STATE AND EXCITED-STATES [J].
FRATEV, F ;
OLBRICH, G ;
POLANSKY, OE .
MONATSHEFTE FUR CHEMIE, 1979, 110 (03) :505-515
[23]   METAL MACROCYCLE INTERACTION IN PHTHALOCYANINES - DENSITY-FUNCTIONAL CALCULATIONS OF GROUND AND EXCITED-STATES [J].
ROSA, A ;
BAERENDS, EJ .
INORGANIC CHEMISTRY, 1994, 33 (03) :584-595
[24]   GROUND-STATE AND LOW-EXCITED PROPERTIES OF LIQUID 3HE CALCULATED WITH A 2-BODY POTENTIAL [J].
BURKHARDT, TW .
ANNALS OF PHYSICS, 1968, 47 (03) :516-+
[25]   EMPIRICAL DETERMINATION OF THE POTENTIAL CURVES OF THE GROUND-STATE AND THE 1ST 2 EXCITED-STATES OF KR2 [J].
BARZEN, K ;
WOLLENWEBER, P ;
SCHMORANZER, H .
CHEMICAL PHYSICS LETTERS, 1987, 142 (1-2) :79-84
[26]   STUDY OF THE ELECTRONIC-STRUCTURE AND SPECTRA OF DIPHENYLCARBENE CONFORMERS IN THEIR GROUND-STATE AND LOWER EXCITED-STATES [J].
DESPRES, A ;
LEJEUNE, V ;
MIGIRDICYAN, E ;
ADMASU, A ;
PLATZ, MS ;
BERTHIER, G ;
PARISEL, O ;
FLAMENT, JP ;
BARALDI, I ;
MOMICCHIOLI, F .
JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (50) :13358-13367
[27]   MEASUREMENT OF THE PARAMETERS OF THE GROUND-STATE AND LOW-LYING EXCITED-STATES OF AL-27 [J].
DOLBILKIN, BS ;
KONDRATEV, RL ;
KOSTIN, NN ;
LISIN, VP ;
PONOMAREV, VN ;
POLONSKII, AL .
SOVIET JOURNAL OF NUCLEAR PHYSICS-USSR, 1983, 37 (02) :157-160
[28]   STIMULATED-EMISSION ON TRANSITIONS BETWEEN EXCITED-STATES AND GROUND-STATE OF AN ACCEPTOR IMPURITY IN GERMANIUM [J].
MURAVEV, AV ;
PAVLOV, SG ;
PASTIN, VN .
JETP LETTERS, 1990, 52 (06) :343-349
[29]   GROUND AND EXCITED-STATES OF CASH THROUGH ELECTRON PROPAGATOR CALCULATIONS [J].
ORTIZ, JV .
CHEMICAL PHYSICS LETTERS, 1990, 169 (1-2) :116-120
[30]   DETERMINATION OF MOLECULAR-ORBITALS BY DIRECT MINIMIZATION OF GROUND-STATE ENERGY AND EXCITED-STATES OF MOLECULES [J].
BENARD, M ;
JULG, A .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (05) :945-950