2 citations · 2 across the 2 of their papers we have counts for
3 papers
The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project
Qiming Sun, Matthew R Hermes, Xiaojie Wu +100
Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum…
MADWAVE3: a quantum time dependent wave packet code for nonadiabatic state-to-state reaction dynamics of triatomic systems
Octavio Roncero, Pablo del Mazo-Sevillano
We present MADWAVE3, a FORTRAN90 code designed for quantum time dependent wave packet propagation in triatomic systems. This program allows the calculation of state-to-state probab…
Inelastic H + H Collision rates and their impact in the determination of the excitation temperature of H
Daniel Felix-Gonzalez, Pablo del Mazo-Sevillano, Alfredo Aguado +5
Context. In dffuse interstellar clouds the excitation temperature derived from the lowest levels of H is systematically lower than that derived from H2. The differences may b…