VELOCITY-DEPENDENT ORBITALS IN PROTON-ON-HYDROGEN-ATOM COLLISIONS

被引：217
作者：
SCHNEIDE.SB
RUSSEK, A
机构：
[1] United Aircraft Research Laboratories, East Hartford
[2] Physics Department, University of Connecticut, Storrs
[3] Center for Naval Analyses, University of Rochester, Arlington
来源：
PHYSICAL REVIEW | 1969年 / 181卷 / 01期
关键词：
D O I：
10.1103/PhysRev.181.311
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Requirements are outlined for a suitable set of dynamic orbitals for theoretical studies in collision problems. The effect of these upon the wave function, dynamic energy correction, and effective internuclear potential are all considered. It is shown that earlier forms suggested for this type of problem do not meet all required dynamic boundary conditions, principally because of their failure to recognize that physically, for moderate speed collisions, the electron at times belongs" to the "molecule" proper and not to either atom individually. The earlier orbitals also fail to make allowances for the reluctance of an electronic charge distribution to follow rapid rotation of an internuclear axis. These considerations suggest a new form of dynamic orbital which by remedying these deficiencies automatically achieves complete orthonormality. The results of preliminary charge transfer calculations with the new orbital basis are presented. © 1969 The American Physical Society."
引用
收藏
页码：311 / &
相关论文
共 35 条
[11]  
CHESHIRE IM, 1968, P PHYS SOC LONDON B, V1, P428
[12]   APPROXIMATE MOLECULAR ORBITALS .1. THE 1S-SIGMA-G AND 2P-SIGMA-U STATES OF H-2+ [J].
DALGARNO, A ;
POOTS, G .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON SECTION A, 1954, 67 (412) :343-350
[13]   RESONANCE CHARGE TRANSFER BETWEEN H(1S) AND H+ CALCULATED BY MEANS OF AN APPROXIMATION BASED ON AN EXPANSION IN MOLECULAR EIGENFUNCTIONS [J].
FERGUSON, AF .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 264 (1318) :540-+
[14]  
FULTON MJ, 1965, ANN PHYS NY, V1, P65
[15]   COUPLED-STATE CALCULATIONS OF PROTON-HYDROGEN SCATTERING IN STURMIAN REPRESENTATION [J].
GALLAHER, DF ;
WILETS, L .
PHYSICAL REVIEW, 1968, 169 (01) :139-&
[16]  
GELLER M, 1958, THESIS NORTHWESTERN
[17]   MOLECULAR ORBITAL STUDIES OF DIATOMIC MOLECULES .1. METHOD OF COMPUTATION FOR SINGLE CONFIGURATIONS OF HETERONUCLEAR SYSTEMS [J].
HARRIS, FE .
JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (01) :3-18
[18]   MEASUREMENTS OF RESONANT ELECTRON CAPTURE IN CLOSE H PLUS -ON-H COLLISIONS [J].
HELBIG, HF ;
EVERHART, E .
PHYSICAL REVIEW, 1965, 140 (3A) :A715-&
[19]  
HERZBERG G, 1950, MOL SPECTRA MOL STRU, V1, P329
[20]   NONADIABATIC CORRECTIONS TO METHOD OF PERTURBED STATIONARY STATES [J].
INGBER, L .
PHYSICAL REVIEW, 1965, 139 (1A) :A35-&
1234