The two-electron integral in chemist’s notation
Convention in the purple book[@purple_book] or the Shavitt paper[@Hinze1981] and many more.
The function exists to have a direct translation of the pen and paper equations into code.
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | i |
Spatial orbital indices |
||
| integer, | intent(in) | :: | j |
Spatial orbital indices |
||
| integer, | intent(in) | :: | k |
Spatial orbital indices |
||
| integer, | intent(in) | :: | l |
Spatial orbital indices |