+ Site Statistics
+ Search Articles
+ PDF Full Text Service
How our service works
Request PDF Full Text
+ Follow Us
Follow on Facebook
Follow on Twitter
Follow on LinkedIn
+ Subscribe to Site Feeds
Most Shared
PDF Full Text
+ Translate
+ Recently Requested

On the diagnostic value of ( 2 ) in Kohn-Sham density functional theory



On the diagnostic value of ( 2 ) in Kohn-Sham density functional theory



Molecular Physics 99(11): 981-989




Please choose payment method:






(PDF emailed within 0-6 h: $19.90)

Accession: 067271532

Download citation: RISBibTeXText

DOI: 10.1080/00268970110041191


Related references

Hybrid ab initio Kohn-Sham density functional theory/frozen-density orbital-free density functional theory simulation method suitable for biological systems. Journal of Chemical Physics 128(1): 014101, 2008

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer. Journal of Chemical Theory and Computation 11(8): 3643-3649, 2015

Increasing the applicability of density functional theory. III. Do consistent Kohn-Sham density functional methods exist?. Journal of Chemical Physics 137(13): 134102, 2012

Assessment of Kohn-Sham density functional theory and Møller-Plesset perturbation theory for ionic liquids. Physical Chemistry Chemical Physics 15(32): 13664-13675, 2013

An average-of-configuration method for using Kohn-Sham density functional theory in modeling ligand-field theory. Inorganic Chemistry 42(13): 4088-4097, 2003

Self-averaging stochastic Kohn-Sham density-functional theory. Physical Review Letters 111(10): 106402, 2013

Strong correlation in Kohn-Sham density functional theory. Physical Review Letters 109(24): 246402, 2012

Exchange energy in Kohn-Sham density-functional theory. Physical Review. A Atomic Molecular and Optical Physics 51(5): 3571-3575, 1995

Open-system Kohn-Sham density functional theory. Journal of Chemical Physics 136(9): 094105, 2012

Perspective: Kohn-Sham density functional theory descending a staircase. Journal of Chemical Physics 145(13): 130901, 2016

Local Fitting of the Kohn-Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations. Journal of Chemical Theory and Computation 13(5): 2202-2214, 2017

Tight-binding density functional theory: an approximate Kohn-Sham DFT scheme. Journal of Physical Chemistry. a 111(26): 5609-5613, 2007

Many-body properties calculated from the Kohn-Sham equations in density-functional theory. Physical Review. B Condensed Matter 43(14): 12025-12028, 1991

The QTP family of consistent functionals and potentials in Kohn-Sham density functional theory. Journal of Chemical Physics 145(3): 034107, 2016

Calculating excited state properties using Kohn-Sham density functional theory. Journal of Chemical Physics 138(6): 064101, 2013