H2SOLV: Fortran solver for diatomic molecules in explicitly correlated exponential basis

DOI10.1016/J.CPC.2016.07.024zbMath1380.65482OpenAlexW2476428969MaRDI QIDQ1682772

M. Zientkiewicz, K. Pachucki, V. A. Yerokhin

Publication date: 5 December 2017

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2016.07.024

zbMATH Keywords

Schrödinger equationhydrogen moleculeexplicitly correlated basis set

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) PDEs in connection with quantum mechanics (35Q40) Applications to the sciences (65Z05) Molecular physics (81V55)

Related Items (1)

H2SOLV

Uses Software

• MPFR
• Unnamed Item

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