src/integral.cpp
double tranformation_coefficient(int a[3], int b[3], int p[3], double PA[3], double PB[3], double xi, double AB)
{
    int i;
    double result;

    result = 1;

    for(i=0;i<3;i++)
        result *= f(p[i],a[i],b[i],PA[i],PB[i]);

    result *= exp(- xi * AB); // it might cause confusion, but AB here has already been squared, meaning AB -> |AB|^2

    return result;
}
//Calculate the transformation coefficient that is needed to complete the transformation from two combined gaussian function to the sum of a series of gaussian functions
Calculate the transformation coefficient that is needed to complete the transformation from two combined gaussian function to the sum of a series of gaussian functions
Calculate the transformation coefficient that is needed to complete the transformation from two combined gaussian function to the sum of a series of gaussian functions
double tranformation_coefficient(int a[3], int b[3], int p[3], double PA[3], double PB[3], double xi, double AB)
{
    int i;
    double result;
    result = 1;
    for(i=0;i<3;i++)
        result *= f(p[i],a[i],b[i],PA[i],PB[i]);
    result *= exp(- xi * AB); 
    return result;
}
double tranformation_coefficient ( int a [ 3 ] , int b [ 3 ] , int p [ 3 ] , double PA [ 3 ] , double PB [ 3 ] , double xi , double AB ) { int i ; double result ; result = 1 ; for ( i = 0 ; i < 3 ; i ++ ) result *= f ( p [ i ] , a [ i ] , b [ i ] , PA [ i ] , PB [ i ] ) ; result *= exp ( - xi * AB ) ; return result ; }
Calculate the transformation coefficient that is needed to complete the transformation from two combined gaussian function to the sum of a series of gaussian functions
Calculate the transformation coefficient that is needed to complete the transformation from two combined gaussian function to the sum of a series of gaussian functions
// it might cause confusion, but AB here has already been squared, meaning AB -> |AB|^2