Concepedia

Author

Per‐Åke Malmqvist

Lund UniversityORCID

Also Known As

Malmqvist, P.- A., P. A. Malmqvist, P. Å. Malmqvist, P.-A. Malmqvist, P.-Å. Malmqvist, P.-Å. Malmqvist, P.Å Malmqvist, P.Å. Malmqvist, P.‐A. MALMQVIST, PER-ÅKE MALMQVIST

91

Publications

24K

Citations

49

H-Index

69

Concepts

All Affiliations

Lund UniversitySwedish e-Science Research CentreUniversitat de ValènciaUppsala UniversityCentre National de la Recherche Scientifique
PM

About

Per‐Åke Malmqvist is an author at Lund University specializing in physics, natural sciences, and engineering.

Top Concepts

#ConceptH-IndexPublicationsCitations

1

Natural Sciences

33

37

10.8K

2

Engineering

30

36

13.7K

3

Applied Physics

10

10

2.3K

4

Health Sciences

1

1

119

5

Biochemistry

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1

119

Per‐Åke Malmqvist

×

55

Publications

21.8K

Citations

45

H-Index

YearCitations

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

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

The Journal of Chemical Physics

1992

3.8K

MOLCAS: a program package for computational chemistry

Gunnar Karlström, Roland Lindh, Per‐Åke Malmqvist,

Computational Materials Science

2003

1.7K

MOLCAS 7: The Next Generation

Francesco Aquilante, Luca De Vico, Nicolas Ferré,

Journal of Computational Chemistry

2009

1.5K

The multi-state CASPT2 method

James P. Finley, Per‐Åke Malmqvist, Björn O. Roos,

Chemical Physics Letters

1998

1.5K

Main Group Atoms and Dimers Studied with a New Relativistic ANO Basis Set

Björn O. Roos, Roland Lindh, Per‐Åke Malmqvist,

The Journal of Physical Chemistry A

2003

1.5K

<scp>Molcas</scp> 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

Francesco Aquilante, Jochen Autschbach, Rebecca K. Carlson,

Journal of Computational Chemistry

2015

1.4K

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

Per‐Åke Malmqvist, Björn O. Roos, Bernd Schimmelpfennig

Chemical Physics Letters

2002

1.2K

OpenMolcas: From Source Code to Insight

Ignacio Fdez. Galván, Morgane Vacher, Ali Alavi,

Journal of Chemical Theory and Computation

2019

1.1K

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

Giovanni Ghigo, Björn O. Roos, Per‐Åke Malmqvist

Chemical Physics Letters

2004

1K

The CASSCF state interaction method

Per‐Åke Malmqvist, Björn O. Roos

Chemical Physics Letters

1989

989

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