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CHARGE AND SPIN FLUCTUATIONS IN THE DENSITY FUNCTIONAL THEORY

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UNSPECIFIED (1991) CHARGE AND SPIN FLUCTUATIONS IN THE DENSITY FUNCTIONAL THEORY. In: 65TH HERAEUS SEMINAR ON ELECTRONIC STRUCTURE IN THE 1990S, ON THE OCCASION OF THE 60TH BIRTHDAY OF A J FREEMAN, BAD HONNEF, FED REP GER, JUL 23-25, 1990. Published in: PHYSICA B, 172 (1-2). pp. 35-43. ISSN 0921-4526.

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Abstract

We introduce a conceptual framework which allows us to treat charge and spin fluctuations about the local density approximation (LDA) in to the density functional theory (DFT). We illustrate the approach by explicit study of the disordered local moment (DLM) state in Fe above the Curie temperature T(c) and the Mott insulating state in MnO.

Item Type: Conference Item (UNSPECIFIED)
Subjects: Q Science > QC Physics
Journal or Publication Title: PHYSICA B
Publisher: ELSEVIER SCIENCE BV
ISSN: 0921-4526
Official Date: June 1991
Dates:
DateEvent
June 1991UNSPECIFIED
Volume: 172
Number: 1-2
Number of Pages: 9
Page Range: pp. 35-43
Publication Status: Published
Title of Event: 65TH HERAEUS SEMINAR ON ELECTRONIC STRUCTURE IN THE 1990S, ON THE OCCASION OF THE 60TH BIRTHDAY OF A J FREEMAN
Location of Event: BAD HONNEF, FED REP GER
Date(s) of Event: JUL 23-25, 1990

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