TY - JOUR
T1 - Improved Lieb-Oxford exchange-correlation inequality with a gradient correction
AU - Lewin, Mathieu
AU - Lieb, Elliott H.
N1 - Publisher Copyright:
© 2015 American Physical Society.
PY - 2015/2/11
Y1 - 2015/2/11
N2 - We prove a Lieb-Oxford-type inequality on the indirect part of the Coulomb energy of a general many-particle quantum state, with a lower constant than the original statement but involving an additional gradient correction. The result is similar to a recent inequality of Benguria et al. [Int. J. Quantum Chem. 112, 1579 (2012)IJQCB20020-760810.1002/qua.23148], except that the correction term is purely local, which is more usual in density functional theory. In an appendix, we discuss the connection between the indirect energy and the classical Jellium energy for constant densities. We show that they differ by an explicit shift due to the long range of the Coulomb potential.
AB - We prove a Lieb-Oxford-type inequality on the indirect part of the Coulomb energy of a general many-particle quantum state, with a lower constant than the original statement but involving an additional gradient correction. The result is similar to a recent inequality of Benguria et al. [Int. J. Quantum Chem. 112, 1579 (2012)IJQCB20020-760810.1002/qua.23148], except that the correction term is purely local, which is more usual in density functional theory. In an appendix, we discuss the connection between the indirect energy and the classical Jellium energy for constant densities. We show that they differ by an explicit shift due to the long range of the Coulomb potential.
UR - http://www.scopus.com/inward/record.url?scp=84922511285&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84922511285&partnerID=8YFLogxK
U2 - 10.1103/PhysRevA.91.022507
DO - 10.1103/PhysRevA.91.022507
M3 - Article
AN - SCOPUS:84922511285
SN - 1050-2947
VL - 91
JO - Physical Review A - Atomic, Molecular, and Optical Physics
JF - Physical Review A - Atomic, Molecular, and Optical Physics
IS - 2
M1 - 022507
ER -