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Collect. Czech. Chem. Commun. 2003, 68, 374-386
https://doi.org/10.1135/cccc20030374

Similarity-Transformed Hamiltonians by Means of Gaussian-Damped Interelectronic Distances

Henk J. A. Zweistra, Claire C. M. Samson and Wim Klopper*

Theoretical Chemistry Group, Debye Institute, Utrecht University, P.O. Box 80052, NL-3508 TB Utrecht, Netherlands

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  • Ammar Abdallah, Scemama Anthony, Giner Emmanuel: Biorthonormal Orbital Optimization with a Cheap Core-Electron-Free Three-Body Correlation Factor for Quantum Monte Carlo and Transcorrelation. J. Chem. Theory Comput. 2023, 19, 4883. <https://doi.org/10.1021/acs.jctc.3c00257>
  • Schraivogel Thomas, Christlmaier Evelin Martine Corvid, López Ríos Pablo, Alavi Ali, Kats Daniel: Transcorrelated coupled cluster methods. II. Molecular systems. The Journal of Chemical Physics 2023, 158. <https://doi.org/10.1063/5.0151412>
  • Hättig Christof, Klopper Wim, Köhn Andreas, Tew David P.: Explicitly Correlated Electrons in Molecules. Chem. Rev. 2012, 112, 4. <https://doi.org/10.1021/cr200168z>
  • Noga Jozef, Kedžuch Stanislav, Šimunek Ján, Ten-no Seiichiro: Explicitly correlated coupled cluster F12 theory with single and double excitations. The Journal of Chemical Physics 2008, 128. <https://doi.org/10.1063/1.2907741>
  • Noga Jozef, Kedžuch Stanislav, Šimunek Ján: Second order explicitly correlated R12 theory revisited: A second quantization framework for treatment of the operators’ partitionings. The Journal of Chemical Physics 2007, 127. <https://doi.org/10.1063/1.2751163>
  • Klopper Wim, Manby Frederick R., Ten-No Seiichiro, Valeev Edward F.: R12 methods in explicitly correlated molecular electronic structure theory. Int Rev Phys Chem 2006, 25, 427. <https://doi.org/10.1080/01442350600799921>
  • Samson Claire C. M., Klopper * Wim: Benchmarking ethylene and ethane: second-order Møller–Plesset pair energies for localized molecular orbitals. Mole Phys 2004, 102, 2499. <https://doi.org/10.1080/00268970412331292894>