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Development of the deMon2k code   



Applications with the deMon2k code   (This page is currently being updated!)


Theses related to deMon2k   (This page is currently being updated!)

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

... to be continued ...




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