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Thesis for the degree of Teknologie licentiat Subsystem Functionals in

Summary: Thesis for the degree of Teknologie licentiat
Subsystem Functionals in
Density Functional Theory
Towards a New Class of Exchange-Correlation Functionals
Rickard Armiento
Theory of Materials, Department of Physics
Royal Institute of Technology, SE-106 91 Stockholm, Sweden
Stockholm, Sweden 2002
Akademisk avhandling som med tillst°and av Kungliga Tekniska H¨ogskolan i
Stockholm framl¨agges till offentlig granskning f¨or avl¨aggande av teknisk licenci-
atexamen m°andagen den 16 december 2002 kl 13.15 i seminarierummet 112:028 i
hus 11, Albanova universitetscentrum, Stockholms centrum f¨or fysik, astronomi
och bioteknik, Roslagstullsbacken 11, Stockholm.
Cover illustration: An expression describing how the Mathieu gas density devi-
ates from a uniform electron density for the z-point where the density gradient
is zero, as a function of two parameters, ¯p and ¯p2¯.
ISBN 91-7283-416-1
ISSN 0280-316X
ISRN KTH/FYS/--02:48--SE


Source: Armiento, Rickard - Department of Physics, Royal Institute of Technology (KTH)


Collections: Materials Science; Physics