Type | Intent | Optional | Attributes | Name | ||
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integer, | intent(in) | :: | I |
Return the 2el integral gI,A,J,B I, A, J, and B are spin indices. Order follows the definition of the purple book (chemist’s notation). gI,A,J,B=<IJ|1/r|AB> |
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integer, | intent(in) | :: | A |
Return the 2el integral gI,A,J,B I, A, J, and B are spin indices. Order follows the definition of the purple book (chemist’s notation). gI,A,J,B=<IJ|1/r|AB> |
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integer, | intent(in) | :: | J |
Return the 2el integral gI,A,J,B I, A, J, and B are spin indices. Order follows the definition of the purple book (chemist’s notation). gI,A,J,B=<IJ|1/r|AB> |
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integer, | intent(in) | :: | B |
Return the 2el integral gI,A,J,B I, A, J, and B are spin indices. Order follows the definition of the purple book (chemist’s notation). gI,A,J,B=<IJ|1/r|AB> |