相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Polarizability of molecular chains: A self-interaction correction approach
C. D. Pemmaraju et al.
PHYSICAL REVIEW B (2008)
Orbital-dependent density functionals: Theory and applications
Stephan Kummel et al.
REVIEWS OF MODERN PHYSICS (2008)
Improved exchange-correlation potential for polarizability and dissociation in density functional theory
Neepa T. Maitra et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
A simple effective potential for exchange
Axel D. Becke et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
PARSEC - the pseudopotential algorithm for real-space electronic structure calculations: recent advances and novel applications to nano-structures
L Kronik et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2006)
Hyperpolarizabilities of molecular chains:: A real-space approach
S Kümmel et al.
COMPUTATIONAL MATERIALS SCIENCE (2006)
Derivative discontinuities in time-dependent density-functional theory -: art. no. 203004
M Mundt et al.
PHYSICAL REVIEW LETTERS (2005)
Influence of the long-range exchange effect on dynamic polarizability
H Sekino et al.
MOLECULAR PHYSICS (2005)
Functional designed to include surface effects in self-consistent density functional theory
R Armiento et al.
PHYSICAL REVIEW B (2005)
Exact time-dependent exchange-correlation potentials for strong-field electron dynamics -: art. no. 143003
M Lein et al.
PHYSICAL REVIEW LETTERS (2005)
Damped gradient iteration and multigrid relaxation:: tools for electronic structure calculations using orbital density-functionals
S Kümmel
JOURNAL OF COMPUTATIONAL PHYSICS (2004)
Electrical response of molecular chains from density functional theory -: art. no. 213002
S Kümmel et al.
PHYSICAL REVIEW LETTERS (2004)
Accurate polymer polarizabilities with exact exchange density-functional theory
P Mori-Sanchez et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Ultranonlocality in time-dependent current-density-functional theory: Application to conjugated polymers
M van Faassen et al.
PHYSICAL REVIEW LETTERS (2002)
Exchange potential from the common energy denominator approximation for the Kohn-Sham Green's function:: Application to (hyper)polarizabilities of molecular chains
M Grüning et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
A long-range correction scheme for generalized-gradient-approximation exchange functionals
H Iikura et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Origin of the field-counteracting term of the Kohn-Sham exchange-correlation potential of molecular chains in an electric field
OV Gritsenko et al.
PHYSICAL REVIEW A (2000)