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Application of the Cauchy integral formula as a tool of analytic continuation for the resummation of divergent perturbation series.
J Chem Phys. 2019 Jan 21;150(3):031101. doi: 10.1063/1.5083191.
J Chem Phys. 2019.
PMID: 30660152
Effect of partitioning on the convergence properties of the Rayleigh-Schrödinger perturbation series.
Mihálka ZÉ, Szabados Á, Surján PR.
Mihálka ZÉ, et al.
J Chem Phys. 2017 Mar 28;146(12):124121. doi: 10.1063/1.4978898.
J Chem Phys. 2017.
PMID: 28388122
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Improving half-projected spin-contaminated wave functions by multi-configuration perturbation theory.
Mihálka ZÉ, Szabados Á, Surján PR.
Mihálka ZÉ, et al.
J Chem Phys. 2021 Jun 21;154(23):234110. doi: 10.1063/5.0053727.
J Chem Phys. 2021.
PMID: 34241248
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Bilinear Constraints upon the Correlation Contribution to the Electron-Electron Repulsion Energy as a Functional of the One-Electron Reduced Density Matrix.
Cioslowski J, Mihálka ZÉ, Szabados Á.
Cioslowski J, et al. Among authors: mihalka ze.
J Chem Theory Comput. 2019 Sep 10;15(9):4862-4872. doi: 10.1021/acs.jctc.9b00443. Epub 2019 Aug 7.
J Chem Theory Comput. 2019.
PMID: 31294976
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Mean first passage times in variational coarse graining using Markov state models.
Kells A, Mihálka ZÉ, Annibale A, Rosta E.
Kells A, et al. Among authors: mihalka ze.
J Chem Phys. 2019 Apr 7;150(13):134107. doi: 10.1063/1.5083924.
J Chem Phys. 2019.
PMID: 30954057
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The function in quantum theory II. Mathematical challenges and paradoxa.
Mihálka ZÉ, Nooijen M, Margócsy Á, Szabados Á, Surján PR.
Mihálka ZÉ, et al.
J Math Chem. 2022;60(2):267-282. doi: 10.1007/s10910-021-01311-w. Epub 2021 Dec 4.
J Math Chem. 2022.
PMID: 35221441
Free PMC article.
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Symmetry-Adapted Perturbation with Half-Projection for Spin Unrestricted Geminals.
Mihálka ZÉ, Surján PR, Szabados Á.
Mihálka ZÉ, et al.
J Chem Theory Comput. 2021 Jul 13;17(7):4122-4143. doi: 10.1021/acs.jctc.1c00305. Epub 2021 Jun 4.
J Chem Theory Comput. 2021.
PMID: 34087072
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Half-Projection of the Strongly Orthogonal Unrestricted Geminals' Product Wave Function.
Mihálka ZÉ, Surján PR, Szabados Á.
Mihálka ZÉ, et al.
J Chem Theory Comput. 2020 Feb 11;16(2):892-903. doi: 10.1021/acs.jctc.9b00858. Epub 2020 Jan 9.
J Chem Theory Comput. 2020.
PMID: 31860306
Free article.
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