Letter to the editor: Quantum mechanics, or orbitals?

被引:31
作者
Bader, RFW [1 ]
机构
[1] McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada
关键词
D O I
10.1002/qua.10627
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
A review is presented on the use of orbital representations of the wavefunction in the interpretation of chemistry. The sole purpose of the wavefunction is a means to an end, to enable the prediction of measurable quantities that are subsequently understood in terms of the theorems that relate them to forces acting within the system. This point of view needs no justification other than provided by physics itself.
引用
收藏
页码:173 / 177
页数:5
相关论文
共 36 条
[1]   VIBRATIONALLY INDUCED PERTURBATIONS IN MOLECULAR ELECTRON DISTRIBUTIONS [J].
BADER, RFW .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1962, 40 (06) :1164-&
[2]   Properties of atoms in molecules: Atoms under pressure [J].
Bader, RFW ;
Austen, MA .
JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (11) :4271-4285
[3]   Atomic force microscope as an open system and the Ehrenfest force [J].
Bader, RFW .
PHYSICAL REVIEW B, 2000, 61 (11) :7795-7802
[4]   Dielectric polarization: a problem in the physics of an open system [J].
Bader, RFW .
MOLECULAR PHYSICS, 2002, 100 (21) :3333-3344
[5]   AN ATOMIC POPULATION AS THE EXPECTATION VALUE OF A QUANTUM OBSERVABLE [J].
BADER, RFW ;
ZOU, PF .
CHEMICAL PHYSICS LETTERS, 1992, 191 (1-2) :54-58
[6]   Properties of atoms in crystals: Dielectric polarization [J].
Bader, RFW ;
Matta, CF .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2001, 85 (4-5) :592-607
[7]   PRINCIPLE OF STATIONARY ACTION AND THE DEFINITION OF A PROPER OPEN SYSTEM [J].
BADER, RFW .
PHYSICAL REVIEW B, 1994, 49 (19) :13348-13356
[8]   SPATIAL LOCALIZATION OF ELECTRONIC PAIR AND NUMBER DISTRIBUTIONS IN MOLECULES [J].
BADER, RFW ;
STEPHENS, ME .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (26) :7391-7399
[9]  
BADER RFW, 1990, ATOMIC MOL QUANTUM T
[10]  
Coppens P., 1997, XRAY CHARGE DENSITIE