An accurate full-dimensional permutationally invariant potential energy surface for the interaction between H2O and CO
2019 ◽
Vol 21
(43)
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pp. 24101-24111
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Keyword(s):
The first full-dimensional accurate potential energy surface was developed for the CO + H2O system based on ca. 102 000 points calculated at the CCSD(T)-F12a/AVTZ level using a permutation invariant polynomial-neural network (PIP-NN) method.
2017 ◽
Vol 19
(27)
◽
pp. 17718-17725
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2020 ◽
Vol 16
(8)
◽
pp. 4822-4832
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2017 ◽
Vol 19
(15)
◽
pp. 9770-9777
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2014 ◽
Vol 141
(3)
◽
pp. 034109
◽
2018 ◽
Vol 149
(14)
◽
pp. 144107
◽
2019 ◽
Vol 151
(11)
◽
pp. 114302
◽
Keyword(s):