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European Physical Journal D(1)
International Journal of Quantum Chemistry(1)
Journal of Chemical Theory and Computation(1)
Physica Scripta(1)
A simple approximate solution for the H3+ ion
ArticleAbstract: Here I derive analytical expressions for the total energy of the (Formula presented.) cation in itsPalabras claves:electronic structure, quantum Monte Carlo, trihydrogen cation, variational methodAutores:Alejandro Pérez PazFuentes:googlescopusA simple quantum model for solving two-electron diatomics approximately
ArticleAbstract: Analytical expressions are obtained for the total energy of two-electron heteronuclear diatomics usiPalabras claves:ground-state properties, GTO basis set, helium dimer dication, helium hydride, heteronuclear diatomics, Metropolis Monte CarloAutores:Alejandro Pérez PazFuentes:googlescopusNorm-conserving condition for a non-central potential: The hydrogen molecule ion
ArticleAbstract: A generalization of the norm-conserving condition for the simplest non-central potential, the hydrogPalabras claves:Autores:Alejandro Pérez PazFuentes:googlescopusPath integral computation of quantum free energy differences due to alchemical transformations involving mass and potential
ArticleAbstract: Thermodynamic integration, perturbation theory, and λ-dynamics methods were applied to path integralPalabras claves:Autores:Alejandro Pérez Paz, Von Lilienfeld O.Fuentes:googlescopus