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Accurate density functional made more versatile.
Jana S, Behera SK, Śmiga S, Constantin LA, Samal P. Jana S, et al. Among authors: constantin la. J Chem Phys. 2021 Jul 14;155(2):024103. doi: 10.1063/5.0051331. J Chem Phys. 2021. PMID: 34266258
Hartree potential dependent exchange functional.
Constantin LA, Fabiano E, Della Sala F. Constantin LA, et al. J Chem Phys. 2016 Aug 28;145(8):084110. doi: 10.1063/1.4961300. J Chem Phys. 2016. PMID: 27586907
Accurate Water Properties from an Efficient ab Initio Method.
Jana S, Constantin LA, Samal P. Jana S, et al. Among authors: constantin la. J Chem Theory Comput. 2020 Feb 11;16(2):974-987. doi: 10.1021/acs.jctc.9b01018. Epub 2020 Jan 22. J Chem Theory Comput. 2020. PMID: 31910012
Unveiling the Physics Behind Hybrid Functionals.
Śmiga S, Constantin LA. Śmiga S, et al. Among authors: constantin la. J Phys Chem A. 2020 Jul 9;124(27):5606-5614. doi: 10.1021/acs.jpca.0c04156. Epub 2020 Jun 29. J Phys Chem A. 2020. PMID: 32551627 Free PMC article.
46 results