SPLINE CALCULATIONS OF THE PHOTOIONIZATION OSCILLATOR-STRENGTHS OF H-3+

被引:8
作者
MORRISON, JC
BOTTCHER, C
BOTTRELL, G
机构
[1] OAK RIDGE NATL LAB, DIV PHYS, OAK RIDGE, TN 37831 USA
[2] HARVARD SMITHSONIAN CTR ASTROPHYS, INST THEORET ATOM & MOLEC PHYS, CAMBRIDGE, MA 02138 USA
来源
THEORETICA CHIMICA ACTA | 1991年 / 80卷 / 4-5期
关键词
NUMERICAL CALCULATION; OSCILLATOR STRENGTH; MOLECULAR ION;
D O I
10.1007/BF01117412
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
We apply spline methods to the problem of calculating continuum excitation probabilities of molecular systems under the influence of electromagnetic fields. Numerical results are given for the H-3+ molecular ion.
引用
收藏
页码:245 / 255
页数:11
相关论文
共 36 条
[1]   COUPLED CLUSTER CALCULATION OF ELECTRON-AFFINITIES OF LIF [J].
ADAMOWICZ, L ;
BARTLETT, RJ .
CHEMICAL PHYSICS LETTERS, 1986, 129 (02) :159-164
[2]   NUMERICAL MULTICONFIGURATION SELF-CONSISTENT-FIELD CALCULATIONS ON THE 1ST EXCITED-STATE OF LIH- [J].
ADAMOWICZ, L ;
MCCULLOUGH, EA .
JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (10) :2045-2048
[3]   POLYATOMIC SCF CALCULATIONS WITH NUMERICAL ORBITALS .2. METHODS TO REDUCE INTEGRATION AND TRUNCATION ERROR [J].
ALEXANDER, SA ;
COLDWELL, RL ;
MONKHORST, HJ .
JOURNAL OF COMPUTATIONAL PHYSICS, 1988, 76 (02) :263-280
[4]   POLYATOMIC SCF CALCULATIONS WITH NUMERICAL ORBITALS .1. INTRODUCTION AND COMPUTATIONAL EXPERIMENTS ON THE CYBER-205 [J].
ALEXANDER, SA ;
MONKHORST, HJ .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1987, 32 (03) :361-375
[5]   RELATIVISTIC ALL-ORDER EQUATIONS FOR HELIUM [J].
BLUNDELL, SA ;
JOHNSON, WR ;
LIU, ZW ;
SAPIRSTEIN, J .
PHYSICAL REVIEW A, 1989, 39 (08) :3768-3775
[6]  
Boor CD., 1978, PRACTICAL GUIDE SPLI
[7]   NUMERICAL-METHOD FOR THE CALCULATION OF CONTINUUM EXCITATION AMPLITUDES IN TIME-DEPENDENT EXTERNAL-FIELD PROBLEMS [J].
BOTTCHER, C ;
STRAYER, MR ;
UMAR, AS ;
OBERACKER, VE .
PHYSICAL REVIEW C, 1988, 37 (06) :2487-2494
[8]   DAMPED RELAXATION TECHNIQUES TO CALCULATE RELATIVISTIC BOUND-STATES [J].
BOTTCHER, C ;
STRAYER, MR ;
UMAR, AS ;
REINHARD, PG .
PHYSICAL REVIEW A, 1989, 40 (08) :4182-4189
[9]   RELATIVISTIC THEORY OF FERMIONS AND CLASSICAL FIELDS ON A COLLOCATION LATTICE [J].
BOTTCHER, C ;
STRAYER, MR .
ANNALS OF PHYSICS, 1987, 175 (01) :64-111