4.8 Article

Ground-State Energy as a Simple Sum of Orbital Energies in Kohn-Sham Theory: A Shift in Perspective through a Shift in Potential

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。
Correction Physics, Multidisciplinary

Guaranteed Convergence of the Kohn-Sham Equations (vol 111, 093003, 2013)

Lucas O. Wagner et al.

PHYSICAL REVIEW LETTERS (2014)

Article Physics, Multidisciplinary

Guaranteed Convergence of the Kohn-Sham Equations

Lucas O. Wagner et al.

PHYSICAL REVIEW LETTERS (2013)

Article Physics, Multidisciplinary

Orbital Localization, Charge Transfer, and Band Gaps in Semilocal Density-Functional Theory

R. Armiento et al.

PHYSICAL REVIEW LETTERS (2013)

Article Chemistry, Physical

Energy expressions for Kohn-Sham potentials and their relation to the Slater-Janak theorem

Pavel D. Elkind et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Derivative discontinuity, bandgap and lowest unoccupied molecular orbital in density functional theory

Weitao Yang et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Physics, Multidisciplinary

Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method

Tamar Stein et al.

PHYSICAL REVIEW LETTERS (2010)

Correction Chemistry, Physical

Time-dependent density functional methods for excited state properties (vol 117, pg 7433, 2002)

F Furche et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

Resonant nonlinear polarizabilities in the time-dependent density functional theory

S Tretiak et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Chemistry, Physical

Adiabatic time-dependent density functional methods for excited state properties

F Furche et al.

JOURNAL OF CHEMICAL PHYSICS (2002)

Article Chemistry, Physical

On the density matrix based approach to time-dependent density functional response theory

F Furche

JOURNAL OF CHEMICAL PHYSICS (2001)