Lucas Visscher - researchr alias

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2024

A hybrid quantum algorithm to detect conical intersectionsEmiel Koridon, Joana Fraxanet, Alexandre Dauphin, Lucas Visscher, Thomas E. O'Brien, Stefano Polla. quantum, 8:1259, February 2024. [doi]

2022

CAT: A Compound Attachment Tool for the Construction of Composite Chemical CompoundsBas van Beek, Juliette Zito, Lucas Visscher, Ivan Infante. jcisd, 62(22):5525-5535, 2022. [doi]

2021

Efficient workflow for the investigation of the catalytic cycle of water oxidation catalysts: Combining GFN-xTB and density functional theoryJan Paul Menzel, Martijn Kloppenburg, Jelena Belic, Huub J. M. de Groot, Lucas Visscher, Francesco Buda. jcc, 42(26):1885-1894, 2021. [doi]

2020

Double hybrid DFT calculations with Slater type orbitalsArno Förster, Lucas Visscher. jcc, 41(18):1660-1684, 2020. [doi]

GUI Implementation of VCDtools, A Program to Analyze Computed Vibrational Circular Dichroism SpectraMark A. J. Koenis, Olivier Visser, Lucas Visscher, Wybren J. Buma, Valentin P. Nicu. jcisd, 60(1):259-267, 2020. [doi]

2019

QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum ChemistryFelipe Zapata, Lars Ridder, Johan Hidding, Christoph R. Jacob, Ivan Infante, Lucas Visscher. jcisd, 59(7):3191-3197, 2019. [doi]

2017

Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional programDanny Schlüns, Mirko Franchini, Andreas W. Götz, Johannes Neugebauer, Christoph R. Jacob, Lucas Visscher. jcc, 38(4):238-249, 2017. [doi]

2016

Improvements on the minimax algorithm for the Laplace transformation of orbital energy denominatorsBenjamin Helmich-Paris, Lucas Visscher. jcphy, 321:927-931, 2016. [doi]

2013

The Becke Fuzzy Cells Integration Scheme in the Amsterdam Density Functional Program SuiteMirko Franchini, Pierre Herman Theodoor Philipsen, Lucas Visscher. jcc, 34(21):1819-1827, 2013. [doi]

2011

PyADF - A scripting framework for multiscale quantum chemistryChristoph R. Jacob, S. Maya Beyhan, Rosa E. Bulo, André Severo Pereira Gomes, Andreas W. Götz, Karin Kiewisch, Jetze Sikkema, Lucas Visscher. jcc, 32(10):2328-2338, 2011. [doi]

2008

A flexible implementation of frozen-density embedding for use in multilevel simulationsChristoph R. Jacob, Johannes Neugebauer, Lucas Visscher. jcc, 29(6):1011-1018, 2008. [doi]

2006

A Framework for Execution of Computational Chemistry Codes in Grid EnvironmentsAndré Severo Pereira Gomes, André Merzky, Lucas Visscher. iccS 2006: 97-104 [doi]

A QM/MM study on the aqueous solvation of the tetrahydroxouranylate [UO2(OH)4]2- complex ionIvan Infante, Bas van Stralen, Lucas Visscher. jcc, 27(11):1156-1162, 2006. [doi]

2004

QM/MM study of aqueous solvation of the uranyl fluoride [UO2F42-] complexIvan Infante, Lucas Visscher. jcc, 25(3):386-392, 2004. [doi]

2003

Parallelization of four-component calculations. II. Symmetry-driven parallelization of the 4-Spinor CCSD algorithmMarkus Pernpointner, Lucas Visscher. jcc, 24(6):754-759, 2003. [doi]

2002

The Dirac equation in quantum chemistry: Strategies to overcome the current computational problemsLucas Visscher. jcc, 23(8):759-766, 2002. [doi]

2000

Parallelization of four-component calculations. I. Integral generation, SCF, and four-index transformation in the Dirac-Fock package MOLFDIRMarkus Pernpointner, Lucas Visscher, W. A. de Jong, Ria Broer. jcc, 21(13):1176-1186, 2000. [doi]

1999

Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halidesLucas Visscher, Thomas Enevoldsen, Trond Saue, Hans Jorgen Aagard Jensen, Jens Oddershede. jcc, 20(12):1262-1273, 1999. [doi]

1997

Relativistic all-electron Dirac-Fock-Breit calculations on xenon fluorides (XeF::n::, n = 1, 2, 4, 6)Jacek Styszynki, Xiaoping Cao, Gulzari L. Malli, Lucas Visscher. jcc, 18(5):601-608, 1997. [doi]

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