On the relationship between the one-electron and Bohm's quantum potential

被引:15
作者
Kohout, M [1 ]
机构
[1] Max Planck Inst Chem Phys Fester Stoffe, D-01187 Dresden, Germany
关键词
one-electron potential; quantum potential; marginal and conditional function;
D O I
10.1002/qua.10050
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
The one-electron potential, derived from the electron density, is a three-dimensional function, whereas Bohm's quantum potential depends on the spatial coordinates of all involved electrons. To analyze the relationship between the two potentials in the many-electron case, first the dimensionality of the quantum potential needs to be reduced to match that of the one-electron potential. A possible approach for such dimensionality reduction by calculating the expectation value of the quantum potential over all but one electron, using the factorization of the real part of the wave function into a marginal and conditional function is presented, and a relation between such three-dimensional local quantum potential and the one-electron potential is given.(C) 2002 John Wiley Sons, Inc.
引用
收藏
页码:12 / 14
页数:3
相关论文
共 15 条
[1]  
BOHM D, 1952, PHYS REV, V85, P166, DOI 10.1103/PhysRev.85.166
[2]   A SUGGESTED INTERPRETATION OF THE QUANTUM THEORY IN TERMS OF HIDDEN VARIABLES .2. [J].
BOHM, D .
PHYSICAL REVIEW, 1952, 85 (02) :180-193
[3]  
Bohm D., 1993, UNDIVIDED UNIVERSE O
[4]   Valence shell structures in the distributions of the Laplacian of the electron density and the one-electron potential for diatomic molecules [J].
Chan, WT ;
Hamilton, IP .
JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (06) :2473-2485
[5]   Correspondence between the one-electron potential and the Laplacian of the electron density as indicators of proton affinity [J].
Chan, WT ;
Hamilton, IP .
CHEMICAL PHYSICS LETTERS, 1999, 301 (1-2) :53-58
[6]  
Hamilton IP, 1998, CHEM PHYS LETT, V297, P261, DOI 10.1016/S0009-2614(98)01142-7
[7]   NODELESS WAVE-FUNCTIONS AND SPIKY POTENTIALS [J].
HUNTER, G .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1981, 19 (05) :755-761
[8]   CONDITIONAL PROBABILITY AMPLITUDES IN WAVE MECHANICS [J].
HUNTER, G .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (02) :237-242
[9]   THE EXACT ONE-ELECTRON MODEL OF MOLECULAR-STRUCTURE [J].
HUNTER, G .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, 29 (02) :197-204
[10]   CONTRIBUTION TO THE ELECTRON-DISTRIBUTION ANALYSIS .1. SHELL STRUCTURE OF ATOMS [J].
KOHOUT, M ;
SAVIN, A ;
PREUSS, H .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (03) :1928-1942