An Application to H2+ of Laplace Type Integral Transform and its Inverse
1985 ◽
Vol 40
(3)
◽
pp. 246-250
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Keyword(s):
Laplace type integral transformation (LIT) has been applied to wavefunctions. The effect of the inverse transform is also discussed. LIT wavefunctions are tested in the calculation of the ground-state energy of H2+, where the untransformed functions were 1s, 12s, 123s and 1234s- STO. The results presented here show that LIT wavefunctions are applicable in molecular computations. The analytical formulae for two-centre one-electron integrals over LIT wavefunctions are derived by use of a Barnett-Coulson-like expansion of rbN (rb + p)-v.
2018 ◽
Vol 233
(2)
◽
pp. 204-213
1981 ◽
Vol 42
(C6)
◽
pp. C6-481-C6-483
Keyword(s):
Keyword(s):
2005 ◽
Vol 19
(30)
◽
pp. 1793-1802
◽
2010 ◽
Vol 162
(1-2)
◽
pp. 34-39
◽
Keyword(s):
1997 ◽
Vol 56
(24)
◽
pp. 15740-15743
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Keyword(s):