Reply to comments of Bader on the simplified variational derivation for quantum atoms in molecules

被引：4

作者：

Pendas, A. Martin ^{[1
]}

Blanco, M. A. ^{[1
]}

Francisco, E. ^{[1
]}

机构：

[1] Univ Oviedo, Fac Quim, Dept Quim Fis & Analit, E-33006 Oviedo, Spain

来源：

CHEMICAL PHYSICS LETTERS | 2006年 / 426卷 / 1-3期

关键词：

D O I：

10.1016/j.cplett.2006.05.073

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 recent comment by Bader suggests that a 'fundamental error' was made in our simplified derivation of the variational nature of the quantum theory of atoms in molecules [A. Martin Pendas ,M.A. Blanco, E. Francisco, Chem. Phys. Lett. 417 (2006) 16]. However, he misinterprets our arguments in several ways, drawing conclusions that do not follow from our original Letter. (c) 2006 Elsevier B.V. All rights reserved.

引用

页码：229 / 230

页数：2

共 50 条

[1] ATOMS IN MOLECULES - A QUANTUM-THEORY - BADER,RFW
CIOSLOWSKI, J
[J]. SCIENCE, 1991, 252 (5012) : 1566 - 1567
[2] Toward the multi-component quantum theory of atoms in molecules: a variational derivation
Goli, Mohammad
Shahbazian, Shant
[J]. THEORETICAL CHEMISTRY ACCOUNTS, 2013, 132 (06) : 1 - 17
[3] Toward the multi-component quantum theory of atoms in molecules: a variational derivation
Mohammad Goli
Shant Shahbazian
[J]. Theoretical Chemistry Accounts, 2013, 132
[4] Revisiting the variational nature of the quantum theory of atoms in molecules
Pendás, AM
Blanco, MA
Francisco, E
[J]. CHEMICAL PHYSICS LETTERS, 2006, 417 (1-3) : 16 - 21
[5] The Quantum Theory of Atoms in Positronic Molecules: The Subsystem Variational Procedure
Zadeh, Farnaz Heidar
Shahbazian, Shant
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2011, 111 (09) : 1999 - 2013
[6] Comment on: Revisiting the variational nature of the quantum theory of atoms in molecules
Bader, Richard F. W.
[J]. CHEMICAL PHYSICS LETTERS, 2006, 426 (1-3) : 226 - 228
[7] ATOMS IN MOLECULES - REPLY
PARR, RG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (05): : 3135 - 3135
[8] UNITARY VARIATIONAL METHOD FOR ATOMS AND MOLECULES
MORIKAWA, T
NARITA, S
[J]. PHYSICS LETTERS A, 1977, 62 (01) : 13 - 14
[9] Everyman's derivation of the theory of atoms in molecules
Bader, Richard F. W.
[J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (32): : 7966 - 7972
[10] SIMPLIFIED DERIVATION OF AUDITORY FILTER SHAPES - REPLY
FORMBY, C
[J]. JOURNAL OF SPEECH AND HEARING RESEARCH, 1991, 34 (06): : 1440 - 1441

← 1 2 3 4 5 →