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Cavity-Free Continuum Solvation: Implementation and Parametrization in a Multiwavelet Framework.
J Chem Theory Comput. 2023 Apr 11;19(7):1986-1997. doi: 10.1021/acs.jctc.2c01098. Epub 2023 Mar 18.
J Chem Theory Comput. 2023.
PMID: 36933225
Free PMC article.
Full Breit Hamiltonian in the Multiwavelets Framework.
Tantardini C, Di Remigio Eikås R, Bjørgve M, Jensen SR, Frediani L.
Tantardini C, et al. Among authors: di remigio eikas r.
J Chem Theory Comput. 2024 Jan 23;20(2):882-890. doi: 10.1021/acs.jctc.3c01056. Epub 2024 Jan 1.
J Chem Theory Comput. 2024.
PMID: 38163290
Free PMC article.
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VAMPyR-A high-level Python library for mathematical operations in a multiwavelet representation.
Bjørgve M, Tantardini C, Jensen SR, Gerez S GA, Wind P, Di Remigio Eikås R, Dinvay E, Frediani L.
Bjørgve M, et al. Among authors: di remigio eikas r.
J Chem Phys. 2024 Apr 28;160(16):162502. doi: 10.1063/5.0203401.
J Chem Phys. 2024.
PMID: 38666572
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