Rangel, Fernando C.; Oliveira, Heibbe C.B. de; Montel, … - In: Physica A: Statistical Mechanics and its Applications 389 (2010) 22, pp. 5208-5215
In this paper the accuracy of the q-Integral method is evaluated in several molecular properties of the H2 system using … the Density Functional Theory (DFT). The q-Integral method is an alternative approach to evaluate two-electron integrals … performed in the general ab initio quantum chemistry package GAMESS, where we implemented the q-Integral method in the source …
