File OneCenterTwoElectronIntegralExpression.h¶

Copyright

This code is licensed under the 3-clause BSD license.

Copyright ETH Zurich, Laboratory for Physical Chemistry, Reiher Group.

See LICENSE.txt for details.

namespace Scine

namespace Sparrow

namespace nddo

class OneCenterTwoElectronIntegralExpression

#include <OneCenterTwoElectronIntegralExpression.h>

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.

Public 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)¶

OneCenterTwoElectronIntegralExpression()¶

double result(const SlaterCondonParameters *p)¶

Private Members

double f1¶

double f2¶

double f3¶

sc_t e1¶

sc_t e2¶

sc_t e3¶