Effects of the locality of a potential derived from hybrid density functionals on Kohn–Sham orbitals and excited states
2017 ◽
Vol 19
(15)
◽
pp. 10177-10186
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The locality of the Kohn–Sham potential in hybrid DFT results in physically meaningful virtual orbitals more suitable to excited state calculations.
2019 ◽
2019 ◽
Keyword(s):
2018 ◽
1973 ◽
Vol 58
(11)
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pp. 5192-5192
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Keyword(s):
2013 ◽
Vol 9
(S297)
◽
pp. 344-348
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2016 ◽
Vol 18
(41)
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pp. 28674-28687
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2017 ◽
Vol 19
(44)
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pp. 30089-30096
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Keyword(s):