Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals-Reference-Cited by-同舟云学术

Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals

Published:2015-12-09 Issue:22 Volume:143 Page:224110
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Li Chen¹^ORCID,Lu Jianfeng¹²,Yang Weitao¹³

Affiliation:

1. Department of Chemistry, Duke University, Durham, North Carolina 27708, USA

2. Departments of Mathematics and Physics, Duke University, Durham, North Carolina 27708, USA

3. Key Laboratory of Theoretical Chemistry of Environment, School of Chemistry and Environment, South China Normal University, Guangzhou 510006, China

Funder

National Science Foundation (NSF)

U.S. Department of Energy (DOE)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4936411

Reference65 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Perspective: Fifty years of density-functional theory in chemical physics

3. Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules

4. Density-Functional Theory for Time-Dependent Systems

5. Local density-functional theory of frequency-dependent linear response

Cited by 7 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. A constrained gentlest ascent dynamics and its applications to finding excited states of Bose–Einstein condensates;Journal of Computational Physics;2023-01

2. Recent Advances in Cartesian-Grid DFT in Atoms and Molecules;Frontiers in Chemistry;2022-07-22

3. Excitation energies through Becke’s exciton model within a Cartesian-grid KS DFT;Theoretical Chemistry Accounts;2021-01

4. Existence of Hartree-Fock excited states for atoms and molecules;LETT MATH PHYS;2018

5. Convex splitting method for the calculation of transition states of energy functional;Journal of Computational Physics;2018-01