Search Results - "Posada, Edwin"

LOWDIN: The any particle molecular orbital code by Flores-Moreno, Roberto, Posada, Edwin, Moncada, Félix, Romero, Jonathan, Charry, Jorge, Díaz-Tinoco, Manuel, González, Sergio A., Aguirre, Néstor F., Reyes, Andrés

“…LOWDIN is a computational program that implements the Any Particle Molecular Orbital (APMO) method. The current version of the code encompasses Hartree–Fock,…”
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A nuclear configuration interaction approach to study nuclear spin effects: an application to ortho‐ and para‐3He2@C60 by Moncada, Félix, Quintero, William, Posada, Edwin, Pettersson, Lars G. M., Reyes, Andrés

“…We introduce a non‐orthogonal configuration interaction approach to investigate nuclear quantum effects on energies and densities of confined fermionic nuclei…”
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A nuclear configuration interaction approach to study nuclear spin effects: an application to ortho- and para- 3 He 2 @C 60 by Moncada, Félix, Quintero, William, Posada, Edwin, Pettersson, Lars G M, Reyes, Andrés

“…We introduce a non-orthogonal configuration interaction approach to investigate nuclear quantum effects on energies and densities of confined fermionic nuclei…”
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OPTIMIZACIÓN DEL PAQUETE COMPUTACIONAL PARA EL CÁLCULO DE ESTRUCTURA NÚCLEO-ELECTRÓNICA: APMO by Posada, Edwin, Moncada, Félix, Reyes, Andrés

“…En este trabajo se presenta una versiónrediseñada y optimizada del programaAPMO (Any Particle Molecular Orbital).APMO es una implementación computacionaldel…”
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A nuclear configuration interaction approach to study nuclear spin effects: an application to ortho- and para-3 He2 @C60 by Moncada, Félix, Quintero, William, Posada, Edwin, Pettersson, Lars G M, Reyes, Andrés

“…We introduce a non-orthogonal configuration interaction approach to investigate nuclear quantum effects on energies and densities of confined fermionic nuclei…”
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Negative Muon Chemistry: The Quantum Muon Effect and the Finite Nuclear Mass Effect by Posada, Edwin, Moncada, Félix, Reyes, Andrés

“…The any-particle molecular orbital method at the full configuration interaction level has been employed to study atoms in which one electron has been replaced…”
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Non-Born–Oppenheimer self-consistent field calculations with cubic scaling by Moncada, Félix, Posada, Edwin, Flores-Moreno, Roberto, Reyes, Andrés

“…[Display omitted] ► It is possible to perform cubic-scaling Non-Born–Oppenheimer calculations. ► The errors introduced by the approximations used in this…”
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Including nuclear quantum effects into highly correlated electronic structure calculations of weakly bound systems by Aguirre, Néstor F, Villarreal, Pablo, Delgado-Barrio, Gerardo, Posada, Edwin, Reyes, Andrés, Biczysko, Malgorzata, Mitrushchenkov, Alexander O, de Lara-Castells, María Pilar

“…An interface between the APMO code and the electronic structure package MOLPRO is presented. The any particle molecular orbital APMO code [González et al.,…”
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