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Chemistry

D-Index
68
Citations
13670
World Ranking
6686
National Ranking
149

Overview

Lucas Visscher is affiliated with Vrije Universiteit Amsterdam in the Netherlands. Their research primarily lies at the intersection of physics, materials science, and chemistry, with a focus on atomic and molecular physics, optics, materials chemistry, and various aspects of spectroscopy.

Their publication record demonstrates an emphasis on advanced chemical physics studies and quantum chemical methods. Recent scholarly works include:

  • Low-Order Scaling G0W0 by Pair Atomic Density Fitting, 2020, Journal of Chemical Theory and Computation
  • TD-DFT+TB: An Efficient and Fast Approach for Quantum Plasmonic Excitations, 2020, The Journal of Physical Chemistry C
  • Low-Order Scaling Quasiparticle Self-Consistent GW for Molecules, 2021, Frontiers in Chemistry
  • Quasiparticle Self-Consistent GW-Bethe-Salpeter Equation Calculations for Large Chromophoric Systems, 2022, Journal of Chemical Theory and Computation
  • Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures, 2021, Journal of Chemical Theory and Computation

Their work covers a range of topics including spectroscopy and quantum chemical studies, machine learning applications in materials science, inorganic fluorides and related compounds, photochemistry and electron transfer studies, molecular spectroscopy and chirality, and advanced NMR techniques and applications.

Frequent coauthors in their research include:

  • André Severo Pereira Gomes
  • A. Förster
  • Xiang Yuan
  • Loïc Halbert
  • Johann Valentin Pototschnig

Lucas Visscher has contributed extensively to publications in prominent venues such as:

  • Journal of Chemical Theory and Computation
  • arXiv (Cornell University)
  • The Journal of Chemical Physics
  • Zenodo (CERN European Organization for Nuclear Research)
  • Physical Chemistry Chemical Physics

Their expertise encompasses both theoretical developments and computational techniques, addressing complex problems in molecular electronic structure and material properties. The diversity in publication venues and collaboration partners reflects an interdisciplinary approach spanning physics, chemistry, and materials science.

Best Publications

  • Dirac-Fock atomic electronic structure calculations using different nuclear charge distributions

    L Visscher;KG Dyall

  • Formulation and implementation of a relativistic unrestricted coupled-cluster method including noniterative connected triples

    Lucas Visscher;Timothy J. Lee;Kenneth G. Dyall

  • RELATIVISTIC QUANTUM-CHEMISTRY - THE MOLFDIR PROGRAM PACKAGE

    L. Visscher;O. Visser;P.J.C. Aerts;H. Merenga

  • The Becke fuzzy cells integration scheme in the Amsterdam density functional program suite.

    Mirko Franchini;Pierre Herman Theodoor Philipsen;Lucas Visscher

  • The Chemical Bond between Au(I) and the Noble Gases. Comparative Study of NgAuF and NgAu+ (Ng = Ar, Kr, Xe) by Density Functional and Coupled Cluster Methods

    Leonardo Belpassi;Ivan Infante;Francesco Tarantelli;Lucas Visscher

  • Approximate molecular relativistic Dirac-Coulomb calculations using a simple Coulombic correction

    Lucas Visscher

  • Formulation and implementation of the relativistic Fock-space coupled cluster method for molecules

    Lucas Visscher;Ephraim Eliav;Uzi Kaldor

  • Arbitrary-Order Density Functional Response Theory from Automatic Differentiation.

    Ulf Ekström;Lucas Visscher;Radovan Bast;Andreas J Thorvaldsen

  • The molecular mean-field approach for correlated relativistic calculations.

    Jetze Sikkema;Lucas Visscher;Trond Saue;Miroslav Iliaš

  • On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties

    G. A. Aucar;T. Saue;L. Visscher;H. J. Aa. Jensen

  • Full four‐component relativistic calculations of NMR shielding and indirect spin–spin coupling tensors in hydrogen halides

    Lucas Visscher;Lucas Visscher;Thomas Enevoldsen;Trond Saue;Hans Jørgen Aagard Jensen

  • Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds.

    Samuel Fux;Christoph R. Jacob;Johannes Neugebauer;Lucas Visscher

  • Relativistic and correlation effects on molecular properties. I. The dihalogens F2, Cl2, Br2, I2, and At2

    L. Visscher;K. G. Dyall

  • The generalized active space concept for the relativistic treatment of electron correlation. II. Large-scale configuration interaction implementation based on relativistic 2- and 4-spinors and its application

    Timo Fleig;Jeppe Olsen;Lucas Visscher

  • Calculation of local excitations in large systems by embedding wave-function theory in density-functional theory

    André Severo Pereira Gomes;Christoph R. Jacob;Christoph R. Jacob;Lucas Visscher

  • A flexible implementation of frozen-density embedding for use in multilevel simulations.

    Christoph R. Jacob;Johannes Neugebauer;Lucas Visscher

  • Toward a practical method for adaptive QM/MM simulations

    Rosa E. Bulo;Bernd Ensing;Jetze Sikkema;Lucas Visscher

  • The generalized active space concept for the relativistic treatment of electron correlation. III. Large-scale configuration interaction and multiconfiguration self-consistent-field four-component methods with application to UO2

    Timo Fleig;Hans Jørgen Aa. Jensen;Jeppe Olsen;Lucas Visscher

  • Molecular open shell configuration interaction calculations using the Dirac–Coulomb Hamiltonian: The f 6‐manifold of an embedded EuO9−6 cluster

    O. Visser;L. Visscher;P. J. C. Aerts;W. C. Nieuwpoort

  • Accurate Coulomb Potentials for Periodic and Molecular Systems through Density Fitting

    Mirko Franchini;Pierre Herman Theodoor Philipsen;Erik van Lenthe;Lucas Visscher

  • The DIRAC code for relativistic molecular calculations.

    Trond Saue;Radovan Bast;Andre Severo Pereira Gomes;Hans Jørgen Aagaard Jensen

Frequent Co-Authors

Christoph R. Jacob
Christoph R. Jacob Technische Universität Braunschweig
Wybren Jan Buma
Wybren Jan Buma University of Amsterdam
Ivan Infante
Ivan Infante Italian Institute of Technology
Johannes Neugebauer
Johannes Neugebauer University of Münster
Stefan Knecht
Stefan Knecht Heinrich Heine University Düsseldorf
Thomas Heine
Thomas Heine TU Dresden
Jos Oomens
Jos Oomens Radboud University
F. Matthias Bickelhaupt
F. Matthias Bickelhaupt Vrije Universiteit Amsterdam
Peter Schwerdtfeger
Peter Schwerdtfeger Massey University
Francesco Tarantelli
Francesco Tarantelli University of Perugia

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