Many-electron systems with constrained current

被引：10

作者：

Kosov, DS

Greer, JC

机构：

[1] Natl Univ Ireland Univ Coll Cork, Natl Microelect Res Ctr, Cork, Ireland

[2] Goethe Univ Frankfurt, Inst Phys & Theoret Chem, D-60439 Frankfurt, Germany

来源：

PHYSICS LETTERS A | 2001年 / 291卷 / 01期

关键词：

D O I：

10.1016/S0375-9601(01)00701-0

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A many-body theory is formulated for an inhomogeneous, interacting electron gas with electronic current. Electronic current is induced by a constraint condition imposed as a vector Lagrange multiplier. Constrained minimization of the total energy on the manifold of an arbitrary constant current leads to a many-electron Schrodinger equation with a complex, momentum-dependent potential. Constant current Hartree-Fock and Kohn-Sham approximations are formulated within the method and application to transport for quantum wires is developed. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：46 / 50

页数：5

共 13 条

[1] First-principles calculation of transport properties of a molecular device
Di Ventra, M
Pantelides, ST
Lang, ND
[J]. PHYSICAL REVIEW LETTERS, 2000, 84 (05) : 979 - 982
[2] INHOMOGENEOUS ELECTRON-GAS
RAJAGOPAL, AK
CALLAWAY, J
[J]. PHYSICAL REVIEW B, 1973, 7 (05) : 1912 - 1919
[3] JOACHIM C, 1997, CHEM PHYS LETT, V265, P265
[4] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS
KOHN, W
SHAM, LJ
[J]. PHYSICAL REVIEW, 1965, 140 (4A): : 1133 - &
[5] MOLECULAR ELECTRONICS
MIRKIN, CA
RATNER, MA
[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1992, 43 : 719 - 754
[6] MUJICA V, 1994, J CHEM PHYS, V101, P68
[7] Electron transmission through molecules and molecular interfaces
Nitzan, A
[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 2001, 52 : 681 - 750
[8] Direct measurement of electrical transport through DNA molecules
Porath, D
Bezryadin, A
de Vries, S
Dekker, C
[J]. NATURE, 2000, 403 (6770) : 635 - 638
[9] Conductance of a molecular junction
Reed, MA
Zhou, C
Muller, CJ
Burgin, TP
Tour, JM
[J]. SCIENCE, 1997, 278 (5336) : 252 - 254
[10] The signature of chemical valence in the electrical conduction through a single-atom contact
Scheer, E
Agrait, N
Cuevas, JC
Yeyati, AL
Ludoph, B
Martin-Rodero, A
Bollinger, GR
van Ruitenbeek, JM
Urbina, C
[J]. NATURE, 1998, 394 (6689) : 154 - 157

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