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The authors and their contributions

Main authors

Contributors

Acknowledgments

We acknowledge the basis set development and testing by K. G. Dyall, Knut Fægri Jr., and A. S. P. Gomes.

We also acknowledge porting and beta-testing by S. Dubillard, U. Ekström, I. Infante, and C. Jacob.

Main authors

 

Hans Jørgen Aa. Jensen

 
Picture of Hans Jørgen Aa. Jensen
 

Trond Saue

 
Picture of Trond Saue
  • Nationality: Norwegian
  • E-mail:  saue@quantix.u-strasbg.fr 
  • URL: N/A
  • Contributions:
    • General structure
    • Closed-shell Hartree-Fock
    • Density Functional Theory module
    • Quaternion symmetry scheme
    • Wave function analysis (Mulliken/projection/visualization)
    • Expectation values
    • Linear response module
   

Lucas Visscher

 
Picture of Lucas Visscher
  • Nationality: Dutch
  • E-mail:  visscher@chem.vu.nl 
  • URL:  http://www.chem.vu.nl/~visscher/
  • Contributions:
    • General structure
    • Relativistic Coupled Cluster methods
    • Levy-Leblond equation
    • Spinfree Dirac equation
    • 4-index transformation module
    • Direct CI module (from Molfdir)

Other authors

Vebjørn Bakken

 
Picture of Vebjørn Bakken
  • Nationality: Norwegian
  • Contributions:
    • Parallelization of direct MP2 module
    • Symmetry recognition (from Dalton)
    • Geometry optimization (from Dalton)

Ephraim Eliav

 
Picture of Ephraim Eliav
  • Nationality: Israeli
  • Contributions:
    • Fock space Coupled Cluster

Thomas Enevoldsen

 
Picture of Thomas Enevoldsen
  • Nationality: Danish
  • Contributions:
    • NMR property module

Timo Fleig

 
Picture of Timo Fleig
  • Nationality: German
  • Contributions:
    • Large scale Configuration Interaction module

Olav Fossgaard

 
Picture of Olav Fossgaard
  • Nationality: Norwegian
  • Contributions:
    • Density Functional Theory

Trygve U. Helgaker

 
Picture of Trygve U. Helgaker
  • Nationality: Norwegian
  • URL:  N/A
  • Contributions:
    • Integral code
    • Density Functional Theory
 

Jon K. Lærdahl

 
Picture of Jon K. Laerdahl
  • Nationality: Norwegian
  • Contributions:
    • MP2 module
 

Christoffer V. Larsen

 
Picture of Christoffer V. Larsen
  • Nationality: Danish
  • Contributions:
    • MP2 first order properties

Patrick Norman

 
Picture of Patrick Norman
  • Nationality: Swedish
  • Contributions:
    • Quadratic response properties

Jeppe Olsen

 
Picture of Jeppe Olsen
  • Nationality: Danish
  • Contributions:
    • Large scale Configuration Interaction module

Jesper K. Pedersen

 
Picture of Jesper K. Pedersen
  • Nationality: Danish

Markus Pernpointner

 
Picture of Markus Pernpointner
  • Nationality: German
  • Contributions:
    • Parallelization of RELCCSD module

Kenneth Ruud

 
Picture of Kenneth Ruud
  • Nationality: Norwegian
  • URL:  http://www.uio.no/~kenneth
  • Contributions:
    • Integral code, in particular for magnetic properties (from Dalton)

Pawel Salek

 
Picture of Pawel Salek
  • Nationality: xxx
  • Contributions:
    • Density Functional Theory

Joost van Stralen

 
Picture of Joost van Stralen
  • Nationality: Dutch
  • Contributions:
    • MP2 first order properties

Jørn Thyssen

 
Picture of Jørn Thyssen
  • Nationality: Danish
  • Contributions:
    • Molecular gradient
    • Open shell Hartree-Fock
    • Original set-up of web pages and administration systems

Olivier Visser

 
Picture of Olivier Visser
  • Nationality: Dutch
  • Contributions:
    • Configuration Interaction module (written for MOLFDIR)

Toke Winther

 
Picture of Toke Winther
  • Nationality: Danish
  • Contributions:
    • Definition of 4-comp. property types