Scine::Sparrow
5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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#include <OneCenterTwoElectronIntegralExpression.h>
Public Member Functions | |
OneCenterTwoElectronIntegralExpression (double F1, sc_t E1, double F2, sc_t E2, double F3, sc_t E3) | |
OneCenterTwoElectronIntegralExpression (double F1, sc_t E1, double F2, sc_t E2) | |
OneCenterTwoElectronIntegralExpression (double F1, sc_t E1) | |
double | result (const SlaterCondonParameters *p) |
This class allows the creation of instances containing, so to say, the analytical expression for the calculation of a one-center two-electron integral based on Slater-Type parameters.