The Pauli Potential From the Differential Virial Theorem

被引：36

作者：

Nagy, A. ^{[1
]}

机构：

[1] Univ Debrecen, Dept Theoret Phys, H-4010 Debrecen, Hungary

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2010年 / 110卷 / 12期

关键词：

Density functional theory; Pauli potential; differential virial theorem; LOCAL IONIZATION ENERGIES; ELECTRON-DENSITY; COULOMB-SYSTEMS; KINETIC-ENERGY; GROUND-STATE; MOLECULES; EXCHANGE; PARTICLE; EQUATION; ATOMS;

D O I：

10.1002/qua.22497

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：

Recently, a first-order differential equation for the functional derivative of the kinetic energy functional is derived for spherically symmetric systems using the differential virial theorem of Nagy and March. Here, a more general first-order differential equation for the Pauli potential (valid not only for spherically symmetric systems) is derived by applying the differential virial theorem of Holas and March. The solution of the equation can be given by quantities capable of fully determining every property of a Coulomb system. (C) 2010 Wiley Periodicals, Inc. Int J Quantum Chem 110: 2117-2120, 2010

引用

页码：2117 / 2120

页数：4

共 50 条

[1] ON THE VIRIAL-THEOREM AND THE PAULI POTENTIAL FOR SLATER ORBITALS
NALEWAJSKI, RF
ACTA PHYSICA POLONICA A, 1990, 77 (04) : 449 - 451
[2] The Pauli potential in relation to the differential virial theorem with application to experiments on ultracold atomic gases of fermions
March, N. H.
PHYSICS LETTERS A, 2008, 372 (44) : 6667 - 6669
[3] Differential and local virial theorem
Mol Phys, 4 (597):
[4] Differential and local virial theorem
Nagy, A
March, NH
MOLECULAR PHYSICS, 1997, 91 (04) : 597 - 602
[5] Differential virial theorem and quantum fluid dynamics
Harbola, MK
PHYSICAL REVIEW A, 1998, 58 (03) : 1779 - 1782
[6] Differential virial theorem in density-functional theory in terms of the Pauli potential for spherically symmetric electron densities: Illustrative example for the family of Be-like atomic ions
March, N. H.
Nagy, A.
PHYSICAL REVIEW A, 2008, 78 (04)
[7] Virial theorem and the two molecule interaction potential
Galibin, N. S.
HIGH TEMPERATURE, 2012, 50 (05) : 596 - 601
[8] Virial theorem and the two molecule interaction potential
N. S. Galibin
High Temperature, 2012, 50 : 596 - 601
[9] THE VIRIAL THEOREM FOR HIGHER-ORDER DIFFERENTIAL OPERATORS
Behncke, Horst
Hinton, Don
DIFFERENTIAL AND INTEGRAL EQUATIONS, 2012, 25 (9-10) : 915 - 937
[10] Bayes versus the virial theorem: inferring the potential of a galaxy from a kinematical snapshot
Magorrian, John
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, 2014, 437 (03) : 2230 - 2248

← 1 2 3 4 5 →