The accurate calculation of the band gap of liquid water by means of GW corrections applied to plane-wave density functional theory molecular dynamics simulations
2015 ◽
Vol 17
(1)
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pp. 365-375
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Keyword(s):
Knowledge about the intrinsic electronic properties of water is imperative for understanding the behaviour of aqueous solutions that are used throughout biology, chemistry, physics, and industry.
2018 ◽
Vol 20
(36)
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pp. 23717-23725
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2016 ◽
Vol 120
(35)
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pp. 19547-19557
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2002 ◽
pp. 1684-1734
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2018 ◽
Vol 116
◽
pp. 209-215
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2008 ◽
Vol 86A
(4)
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pp. 1113-1121
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Fluids density functional theory and initializing molecular dynamics simulations of block copolymers
2016 ◽
Vol 144
(12)
◽
pp. 124904
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2015 ◽
Vol 7
(47)
◽
pp. 26275-26283
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