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ModelHamiltonian: A Python-scriptable library for generating 0-, 1-, and 2-electron integrals

The Journal of Chemical Physics
2024-10-07 | Journal article
Contributors: Valerii Chuiko; Addison D. S. Richards; Gabriela Sánchez-Díaz; Marco Martínez-González; Wesley Sanchez; Giovanni B. Da Rosa; Michelle Richer; Yilin Zhao; William Adams; Paul A. Johnson et al.
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PyCI: A Python-scriptable library for arbitrary determinant CI

The Journal of Chemical Physics
2024-10-07 | Journal article
Contributors: Michelle Richer; Gabriela Sánchez-Díaz; Marco Martínez-González; Valerii Chuiko; Taewon David Kim; Alireza Tehrani; Shuoyang Wang; Pratiksha B. Gaikwad; Carlos E. V. de Moura; Cassandra Masschelein et al.
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GBasis: A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions

The Journal of Chemical Physics
2024-07-28 | Journal article
Contributors: Taewon David Kim; Leila Pujal; Michelle Richer; Maximilian van Zyl; Marco Martínez-González; Alireza Tehrani; Valerii Chuiko; Gabriela Sánchez-Díaz; Wesley Sanchez; William Adams et al.
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Coupled cluster-inspired geminal wavefunctions

The Journal of Chemical Physics
2024-04-14 | Journal article
Contributors: Pratiksha B. Gaikwad; Taewon D. Kim; M. Richer; Rugwed A. Lokhande; Gabriela Sánchez-Díaz; Peter A. Limacher; Paul W. Ayers; Ramón Alain Miranda-Quintana
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On the analytical response of lead(II) selective electrodes using 1-aroyl-3,3-dimethylthioureas as ionophores: membrane analysis and quantum chemical calculations

Phosphorus, Sulfur, and Silicon and the Related Elements
2022-12-02 | Journal article
Contributors: M. González-Quintela; M. Viltres-Portales; A. M. Díaz-García; M. Bustamante-Sánchez; G. Sánchez-Díaz; A. R. Lazo-Fraga; O. Estévez-Hernández
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