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Björn O. Roos

Björn O. Roos

D-Index & Metrics

Chemistry

D-Index
97
Citations
57412
World Ranking
1429
National Ranking
20

Overview

Björn O. Roos was affiliated with Lund University in Sweden during their academic career. The available information indicates a focus on scholarly work within an academic environment, but specific research areas or main fields of study are not documented here.

No records of published papers, including titles, years, or venues, are provided for this scientist. Similarly, there is no detailed information on frequent co-authors or typical publication venues.

The data does not include any books published by Björn O. Roos, nor are there documented main topics or subfields of study associated with their work. Additionally, there are no listed awards or recognitions received during their career.

The scientist is noted as deceased. The profile is therefore presented in past tense and reflects only the available factual information without evaluative commentary.

Best Publications

  • A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach

    Björn O. Roos;Peter R. Taylor;Per E.M. Si≐gbahn

  • Second-order perturbation theory with a complete active space self-consistent field reference function.

    Kerstin Andersson;Per‐Åke Malmqvist;Björn O. Roos

  • Second-order perturbation theory with a CASSCF reference function

    Kerstin. Andersson;Per Aake. Malmqvist;Bjoern O. Roos;Andrzej J. Sadlej

  • Software news and update MOLCAS 7 : The Next Generation

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

  • Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

    Kristine Pierloot;Birgit Dumez;Per-Olof Widmark;Björn O. Roos

  • Molcas: a program package for computational chemistry.

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

  • The Complete Active Space Self‐Consistent Field Method and its Applications in Electronic Structure Calculations

    Björn O. Roos

  • The multi-state CASPT2 method

    James Finley;Per-Åke Malmqvist;Björn O. Roos;Luis Serrano-Andrés

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

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

  • The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule

    Per E. M. Siegbahn;Jan Almlöf;Anders Heiberg;Björn O. Roos

  • The restricted active space (RAS) state interaction approach with spin-orbit coupling

    Per Åke Malmqvist;Björn O. Roos;Bernd Schimmelpfennig

  • New relativistic ANO basis sets for transition metal atoms.

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

  • Determinant based configuration interaction algorithms for complete and restricted configuration interaction spaces

    Jeppe Olsen;Björn O. Roos;Poul Jo;rgensen

  • A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)

    Giovanni Ghigo;Björn O. Roos;Per-Åke Malmqvist

  • The CASSCF state interaction method

    Per-Åke Malmqvist;Björn O. Roos

  • Multiconfigurational perturbation theory with level shift — the Cr2 potential revisited

    Björn O. Roos;Kerstin Andersson

  • A Comparison of the Super-CI and the Newton-Raphson Scheme in the Complete Active Space SCF Method

    Per Siegbahn;Anders Heiberg;Björn Roos;Bernard Levy

  • Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds

    David J. Tozer;Roger D. Amos;Nicholas C. Handy;Bjorn O. Roos

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

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

  • Cholesky Decomposition-Based Multiconfiguration Second-Order Perturbation Theory (CD-CASPT2): Application to the Spin-State Energetics of Co(III)(diiminato)(NPh).

    Francesco Aquilante;Per-Åke Malmqvist;Thomas Bondo Pedersen;Abhik Ghosh

Frequent Co-Authors

Manuela Merchán
Manuela Merchán University of Valencia
Laura Gagliardi
Laura Gagliardi University of Chicago
Roland Lindh
Roland Lindh Uppsala University
Luis Serrano-Andrés
Luis Serrano-Andrés University of Valencia
Andrzej J. Sadlej
Andrzej J. Sadlej Nicolaus Copernicus University
Ulf Ryde
Ulf Ryde Lund University
Mats Olsson
Mats Olsson University of Gothenburg
Enrique Ortí
Enrique Ortí University of Valencia
Geerd H. F. Diercksen
Geerd H. F. Diercksen Max Planck Society

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