المؤلفون: Bikash Kanungo (11831233), Paul M. Zimmerman (1275564), Vikram Gavini (1287732)

مصطلحات موضوعية: Biophysics, Molecular Biology, Neuroscience, Physiology, Biotechnology, Ecology, Mental Health, promising new direction, four different bond, density functional theory, much higher errors, satisfying exact conditions, model xc functionals, accurate xc functionals, including nonlocal effects, model xc potentials, exact xc potential, xc functionals, xc potential, relative errors, exact <, work indicates, state densities, problem , lithium hydride, inverse <, best agreement, benzyne 

Relation: https://figshare.com/articles/journal_contribution/A_Comparison_of_Exact_and_Model_Exchange_Correlation_Potentials_for_Molecules/17186899

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c03670.s002

المؤلفون: Smith, Phillip V., Radny, Marian W., Shah, G. Ali

المساهمون: The University of Newcastle. Faculty of Science & Information Technology, School of Mathematical and Physical Sciences

مصطلحات موضوعية: DFT calculations, MBJLDA xc potential, Ge(100)c(4 × 2), semiconductor surfaces

Relation: Journal of Physics - Condensed Matter Vol. 25, Issue 5, p. 1-6; http://hdl.handle.net/1959.13/1300778; uon:20143

الاتاحة: http://hdl.handle.net/1959.13/1300778

المؤلفون: Helmer, Pernilla

مصطلحات موضوعية: density functional theory, hubbard, holstein, bethe lattice, cayley tree, dynamical mean field theory, exchange, correlation, exchange correlation potential, xc-potential, Hxc-potential, Physics and Astronomy

وصف الملف: application/pdf

Relation: http://lup.lub.lu.se/student-papers/record/8937238

الاتاحة: http://lup.lub.lu.se/student-papers/record/8937238