Three states global fittings with improved long range: singlet and triplet states of H+3
Keyword(s):
Full dimensional analytical fits of the coupled potential energy surfaces for the three lower singlet and triplet adiabatic states of H+3 are developed, providing analytic derivatives and non-adiabatic coupling matrix elements.
1978 ◽
Vol 100
(16)
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pp. 5012-5017
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Keyword(s):
1996 ◽
Vol 105
(15)
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pp. 6439-6454
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Keyword(s):
1998 ◽
Vol 99
(2)
◽
pp. 95-99
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2019 ◽
Vol 150
(20)
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pp. 209901
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Keyword(s):
Mapping the Potential Energy Surfaces of the 1,6-Diphenyl-1,3,5-hexatriene Ground and Triplet States
1999 ◽
Vol 121
(5)
◽
pp. 895-902
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2010 ◽
Vol 132
(21)
◽
pp. 214309
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Keyword(s):
1991 ◽
Vol 177
(6)
◽
pp. 536-542
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Keyword(s):
1990 ◽
Vol 92
(4)
◽
pp. 2423-2439
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Keyword(s):
1991 ◽
Vol 95
(21)
◽
pp. 8248-8255
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