Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals
2015 ◽
Vol 143
(22)
◽
pp. 224110
◽
1971 ◽
Vol 26
(1)
◽
pp. 180
◽
2005 ◽
Vol 123
(23)
◽
pp. 234308
◽
1993 ◽
Vol 89
(4)
◽
pp. 623-629
◽