Thesis Title |
Author |
Year |
Author Email Address |
Entwicklung einer LCGTO-Dichtefunktionalmethode mit Hilfsfunktionen |
Andreas Max Köster |
1998 |
akoster@cinvestav.mx |
Geometry Optimization in LCGTO-DFT Methods with Auxiliary Functions |
José Ulises Reveles Ramírez |
2004 |
jureleves@vcu.edu |
Separación de las Energías σ and π en la Teoría de los Funcionales de la Densidad: Implementació y Aplicaciones |
Zeferino Gómez Sandoval |
2005 |
zgomez@ucol.mx |
Analytic Derivatives in LCGTO-DFT Pseudo-Potential Methods with Auxiliary Functions |
Roberto Flores Moreno |
2006 |
roberto.floresmoreno.qt@gmail.com |
Exploring Chemical Reactivity with Auxiliary Density Functional Theory |
Jorge Martín del Campo Ramírez |
2008 |
jmdelc@unam.mx |
Cálculos de Sistemas Grandes Basados en la Teoría de Funcionales de la Densidad Auxiliar: Implementació y Aplicaciones |
Victor Daniel Domínguez Soria |
2009 |
vddsuam@gmail.com |
Magnetic Shielding, Spin-Spin Coupling Constant and Magnetizability Tensors Calculated with Auxiliary Density Perturbation Theory |
Bernardo Antonio Zuniga Gutierrez |
2011 |
bzuniga51@gmail.com |
Born-Oppenheimer Molecular Dynamics with Auxiliary Density Functional Theory |
Gabriel Ulises Gamboa Martínez |
2011 |
gugamboama@conacyt.mx |
Propiedades Termodinámicas de Sistemas Finitos a partir de Dinámica Molecular de Born-Oppenheimer |
José Manuel Vásquez Pérez |
2011 |
gsmanuel@gmail.com |
Time-Depentent Auxiliary Density Perturbation Theory: Method, Implementation and Applications |
Javier Carmona Espíndola |
2012 |
jcarmona_26@yahoo.com.mx |
Asymptotic Expansion of Molecular Integrals in Self-Consistent Auxiliary Density Functional Methods |
Aurelio Álvarez Ibarra |
2013 |
aurelioai@gmail.com |
Low-Order Scaling Methods for Auxiliary Density Functional Theory |
Daniel Mejía Rodríguez |
2015 |
dmejiarodriguez@ufl.edu |