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Roland Lindh

Roland Lindh

D-Index & Metrics

Chemistry

D-Index
75
Citations
25487
World Ranking
4376
National Ranking
49

Overview

Roland Lindh is affiliated with Uppsala University in Sweden. Their research spans multiple scientific disciplines with a focus on materials science, chemistry, and physics and astronomy. The primary subfields of study include materials chemistry, atomic and molecular physics and optics, molecular biology, physical and theoretical chemistry, and organic chemistry.

Lindh's work covers a range of scientific topics such as advanced chemical physics studies, x-ray diffraction in crystallography, spectroscopy and quantum chemical studies, crystallization and solubility studies, machine learning in materials science, photochemistry and electron transfer studies, and mass spectrometry techniques and applications.

The scientist has contributed to several publication venues, with frequent appearances in:

  • Zenodo (CERN European Organization for Nuclear Research)
  • The Cambridge Structural Database
  • Journal of Chemical Theory and Computation
  • The Journal of Chemical Physics
  • The Journal of Physical Chemistry A

Among the recent papers authored or co-authored by Roland Lindh are:

  • Modern quantum chemistry with [Open]Molcas, 2020, The Journal of Chemical Physics
  • Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation, 2020, Journal of Chemical Theory and Computation
  • Symmetry of three-center, four-electron bonds, 2020, Chemical Science
  • Impact of Excited-State Antiaromaticity Relief in a Fundamental Benzene Photoreaction Leading to Substituted Bicyclo[3.1.0]hexenes, 2020, Journal of the American Chemical Society
  • Analytic First-Order Derivatives of (X)MS, XDW, and RMS Variants of the CASPT2 and RASPT2 Methods, 2022, Journal of Chemical Theory and Computation

Frequent collaborators include:

  • Stefano Battaglia
  • Ignacio Fdez. Galván
  • Máté Erdélyi
  • Anne Fiksdahl
  • Ann Christin Reiersølmoen

Best Publications

  • Software news and update MOLCAS 7 : The Next Generation

    Francesco Aquilante;Luca De Vico;Nicolas Ferré;Giovanni Ghigo

  • Molcas: a program package for computational chemistry.

    Gunnar Karlström;Roland Lindh;Per-Åke Malmqvist;Björn O Roos

  • Main group atoms and dimers studied with a new relativistic ANO basis set

    Björn O. Roos;Roland Lindh;Per-Åke Malmqvist;Valera Veryazov

  • Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.

    Francesco Aquilante;Jochen Autschbach;Rebecca K. Carlson;Liviu F. Chibotaru

  • New relativistic ANO basis sets for transition metal atoms.

    Björn O. Roos;Roland Lindh;Per-Ake Malmqvist;Valera Veryazov

  • OpenMolcas : From Source Code to Insight

    Ignacio Fernández Galván;Morgane Vacher;Ali Alavi;Celestino Angeli

  • Towards an accurate molecular orbital theory for excited states: Ethene, butadiene, and hexatriene

    Luis Serrano‐Andrés;Manuela Merchán;Ignacio Nebot‐Gil;Roland Lindh

  • New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF3

    Björn O. Roos;Roland Lindh;Per-Åke Malmqvist;Valera Veryazov

  • Modern quantum chemistry with [Open]Molcas

    Francesco Aquilante;Jochen Autschbach;Alberto Baiardi;Stefano Battaglia

  • Local properties of quantum chemical systems: The LoProp approach

    Laura Gagliardi;Roland Lindh;Gunnar Karlström

  • Unbiased auxiliary basis sets for accurate two-electron integral approximations.

    Francesco Aquilante;Roland Lindh;Thomas Bondo Pedersen

  • 2MOLCAS as a development platform for quantum chemistry software

    Valera Veryazov;Per-Olof Widmark;Luis Serrano-Andrés;Roland Lindh

  • Chemi- and Bioluminescence of Cyclic Peroxides.

    Morgane Vacher;Ignacio Fernández Galván;Bo-Wen Ding;Stefan Schramm

  • Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals

    Francesco Aquilante;Thomas Bondo Pedersen;Roland Lindh

  • The reduced multiplication scheme of the Rys quadrature and new recurrence relations for auxiliary function based two‐electron integral evaluation

    Roland Lindh;U Ryu;B Liu

  • New relativistic ANO basis sets for actinide atoms

    Björn O. Roos;Roland Lindh;Per-Åke Malmqvist;Valera Veryazov

  • THEORETICAL STUDY OF THE INTERNAL CHARGE TRANSFER IN AMINOBENZONITRILES

    Luis Serrano-Andres;Manuela Merchan;Bjoern O. Roos;Roland Lindh

  • Analytical energy gradients for local second-order Møller-Plesset perturbation theory using density fitting approximations

    Martin Schütz;Hans-Joachim Werner;Roland Lindh;Frederick R. Manby

  • Atomic Cholesky decompositions: a route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency

    Francesco Aquilante;Laura Gagliardi;Thomas Bondo Pedersen;Roland Lindh

  • Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection.

    Samer Gozem;Federico Melaccio;Alessio Valentini;Alessio Valentini;Michael Filatov

  • Accurate ab initio density fitting for multiconfigurational self-consistent field methods

    Francesco Aquilante;Thomas Bondo Pedersen;Roland Lindh;Björn Olof Roos

Frequent Co-Authors

Nicolas Ferré
Nicolas Ferré Aix-Marseille University
Massimo Olivucci
Massimo Olivucci University of Siena
Laura Gagliardi
Laura Gagliardi University of Chicago
Gunnar Karlström
Gunnar Karlström Lund University
Björn O. Roos
Björn O. Roos Lund University
Markus Reiher
Markus Reiher ETH Zurich
Martin Schütz
Martin Schütz University of Erlangen-Nuremberg
Luis Serrano-Andrés
Luis Serrano-Andrés University of Valencia
Manuela Merchán
Manuela Merchán University of Valencia
Leticia González
Leticia González University of Vienna

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