Analytic second derivatives from auxiliary density perturbation theory RI Delgado-Venegas, D Mejía-Rodríguez, R Flores-Moreno, P Calaminici, ... The Journal of Chemical Physics 145 (22), 2016 | 28 | 2016 |
Robust and efficient auxiliary density perturbation theory calculations D Mejia-Rodriguez, RI Delgado Venegas, P Calaminici, AM Köster Journal of Chemical Theory and Computation 11 (4), 1493-1500, 2015 | 21 | 2015 |
Self-Consistent Auxiliary Density Perturbation Theory FA Delesma, RI Delgado-Venegas, DR Salahub, JM Del Campo, ... Journal of Chemical Theory and Computation 17 (11), 6934-6946, 2021 | 6 | 2021 |
Static and dynamic polarizabilities of oligothiophenes JN Pedroza-Montero, FA Delesma, RI Delgado-Venegas, P Calaminici, ... Theoretical Chemistry Accounts 135, 1-9, 2016 | 6 | 2016 |
QM/MM with auxiliary DFT in deMon2k JD Samaniego-Rojas, LI Hernández-Segura, L López-Sosa, ... | 5 | 2021 |
Mixed second and third energy derivatives from auxiliary density perturbation theory RI Delgado-Venegas, P Calaminici, AM Köster Molecular Physics 117 (9-12), 1367-1380, 2019 | 3 | 2019 |
Analytic second derivatives in auxiliary density functional theory= Segundas derivadas analíticas enla teoría del funcional de la densidad auxiliar RI Delgado Venegas Tesis (DC)--Centro de Investigación y de Estudios Avanzados del IPN …, 2018 | | 2018 |