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| subroutine, public | ai_operators_r12::operator2 (cps_operator2, la_max, npgfa, zeta, la_min, lc_max, npgfc, zetc, lc_min, omega, r_cutoff, rac, rac2, vac, v, maxder, vac_plus) |
| | Calculation of the primitive two-center integrals over Cartesian Gaussian-type functions for different r12 operators. More...
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| subroutine, public | ai_operators_r12::cps_coulomb2 (v, nmax, zetp, zetq, zetw, rho, rac2, omega, r_cutoff) |
| | Calculation of Coulomb integrals for s-function, i.e, [s|1/r12|s], and the auxiliary integrals [s|1/r12|s]^n. More...
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| subroutine, public | ai_operators_r12::cps_verf2 (v, nmax, zetp, zetq, zetw, rho, rac2, omega, r_cutoff) |
| | Calculation of verf integrals for s-function, i.e, [s|erf(omega*r12)/r12|s], and the auxiliary integrals [s|erf(omega*r12)/r12|s]^n. More...
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| subroutine, public | ai_operators_r12::cps_verfc2 (v, nmax, zetp, zetq, zetw, rho, rac2, omega, r_cutoff) |
| | Calculation of verfc integrals for s-function, i.e, [s|erfc(omega*r12)/r12|s], and the auxiliary integrals [s|erfc(omega*r12)/r12|s]^n. More...
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| subroutine, public | ai_operators_r12::cps_vgauss2 (v, nmax, zetp, zetq, zetw, rho, rac2, omega, r_cutoff) |
| | Calculation of vgauss integrals for s-function, i.e, [s|exp(-omega*r12^2)/r12|s], and the auxiliary integrals [s|exp(-omega*r12^2)/r12|s]. More...
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| subroutine, public | ai_operators_r12::cps_gauss2 (v, nmax, zetp, zetq, zetw, rho, rac2, omega, r_cutoff) |
| | Calculation of gauss integrals for s-function, i.e, [s|exp(-omega*r12^2)|s], and the auxiliary integrals [s|exp(-omega*r12^2)|s]. More...
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| subroutine, public | ai_operators_r12::cps_truncated2 (v, nmax, zetp, zetq, zetw, rho, rac2, omega, r_cutoff) |
| | Calculation of truncated Coulomb integrals for s-function, i.e, [s|TC|s] where TC = 1/r12 if r12 <= r_cutoff and 0 otherwise. More...
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1.9.1