#  Test of Maple V STO diatomic intgrals programs

printf("Test of diatomic STO integral programs by Neumann expansion:\n");
printf("  Six simple integrals, evaluated by\n");
printf("  each of the three overall programs:\n");
printf("        Two_el_0 (reference formula--each term in closed form)\n");
printf("        Two_el_1 (same, using generated arrays)\n");
printf("        Two_el_2 (small-exponential-parameter expansion)\n\n");
printf("  Some of these integrals are given by E. N. Maslen and");
printf(" M. G. Trefry,\n");
printf("  Int. J. Quantum Chem. 37, 51 (1990)-referred to as MT\n\n");
printf("     All calculations at 16-digits precision, 4 terms in Neumann");
printf(" expansion,\n");
Digits := 16;
mumax=4;
printf("     [1sa 1sb | 1sa 1sb], R=5.0, all zeta=1.0;  correct value");
printf(" is\n     0.51193...x10^-9 (MT is in error by factor 10)\n\n");
printf("     Closed formula:\n");
Two_el_0(5.,3.,1,0,0,-3.,1,0,0,-3.,1,0,0,3.,1,0,0,4);
printf("     Array formula:\n");
Two_el_1(5.,3.,1,0,0,-3.,1,0,0,-3.,1,0,0,3.,1,0,0,4);
printf("     Small-exponent formula (very poor because zeta*R=15, which\n");
printf("     is certainly not small; moderate convergence parameters)\n");
Two_el_2(5.,3.,1,0,0,-3.,1,0,0,-3.,1,0,0,3.,1,0,0,4,10,10);
printf("     [2sa 1sb | 1sa 1sb], R=1.0, all zeta=1.0;  correct value");
printf(" is\n     0.35678... (agrees with MT)\n");
printf("     Closed formula:\n");
Two_el_0(1.,1.,2,0,0,-1.,1,0,0,1.,1,0,0,-1.,1,0,0,4);
printf("     Array formula:\n");
Two_el_1(1.,1.,2,0,0,-1.,1,0,0,1.,1,0,0,-1.,1,0,0,4);
printf("     Small-exponent formula (better than for previous)");
printf(" case,\n     (here run with cutoffs too small for full");
printf(" convergence)\n");
Two_el_2(1.,1.,2,0,0,-1.,1,0,0,1.,1,0,0,-1.,1,0,0,4,10,10);
printf("     [2psigma-a 1sb | 2psigma-a 1sb], R=1.0, all zeta=1.0;\n");
printf("     correct value is 0.17206... (agrees with MT assuming their\n");
printf("     unlabelled 2p is in fact 2p sigma)\n");
printf("     Closed formula:\n");
Two_el_0(1.,1.,2,1,0,-1.,1,0,0,1.,2,1,0,-1.,1,0,0,4);
printf("     Array formula:\n");
Two_el_1(1.,1.,2,1,0,-1.,1,0,0,1.,2,1,0,-1.,1,0,0,4);
printf("     Small-exponent formula:\n");
Two_el_2(1.,1.,2,1,0,-1.,1,0,0,1.,2,1,0,-1.,1,0,0,4,10,10);
printf("     [2p pi-a 1sb | 2p pi'-a 1sb], R=1.0, all zeta=1.0; correct\n");
printf("     value is 0.11117...\n");
printf("     Closed formula:\n");
Two_el_0(1.,1.,2,1,1,-1.,1,0,0,1.,2,1,-1,-1.,1,0,0,4);
printf("     Array formula:\n");
Two_el_1(1.,1.,2,1,1,-1.,1,0,0,1.,2,1,-1,-1.,1,0,0,4);
printf("     Small-exponent formula:\n");
Two_el_2(1.,1.,2,1,1,-1.,1,0,0,1.,2,1,-1,-1.,1,0,0,4,10,10);
printf("     [2psigma-a 1sb | 2psigma-b 1sa], R=1.0,all zeta=1.0;\n");
printf("     correct value is -0.046259...\n");
printf("     Closed formula:\n");
Two_el_0(1.,1.,2,1,0,-1.,1,0,0,-1.,2,1,0,1.,1,0,0,4);
printf("     Array formula:\n");
Two_el_1(1.,1.,2,1,0,-1.,1,0,0,-1.,2,1,0,1.,1,0,0,4);
printf("     Small-exponent formula:\n");
Two_el_2(1.,1.,2,1,0,-1.,1,0,0,-1.,2,1,0,1.,1,0,0,4,10,10);
printf("     [2p-pi-a 1sb | 2p-pi'-b 1sa], R=1.0, all zeta=1.0;\n");
printf("     correct value is 0.11117...\n");
printf("     Closed formula:\n");
Two_el_0(1.,1.,2,1,1,-1.,1,0,0,-1.,2,1,-1,1.,1,0,0,4);
printf("     Array formula:\n");
Two_el_1(1.,1.,2,1,1,-1.,1,0,0,-1.,2,1,-1,1.,1,0,0,4);
printf("     Small-exponent formula:\n");
Two_el_2(1.,1.,2,1,1,-1.,1,0,0,-1.,2,1,-1,1.,1,0,0,4,10,10);

#-------------------------------end of file------------------------------