Open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected CI methods and multi-reference PT2.
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Web application to explore the QUEST database.
Updated 2022-05-27 14:00:37 +02:00
Presentation for nuclear physicists
Updated 2020-12-12 15:16:00 +01:00
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Codes for the calculation of the ground-state energies (classical energy and harmonic corrections) of Wigner crystals in 1D, 2D, and 3D using Clifford boundary conditions with a renormalized distance.
Updated 2021-03-11 12:28:06 +01:00
A code for the calculation of Madelung constants
Updated 2021-03-12 22:27:06 +01:00
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