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Simen Kvaal

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Phone +47-22857255
Room V 201
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Visiting address Sem Sælandsvei 26 Kjemibygningen 0371 OSLO
Postal address Postboks 1033 Blindern 0315 OSLO

My background is from physics and applied mathematics, and in 2012 I moved to quantum chemistry. My main interests are analysis and development of computational methods for non-relativistic systems.

I am currently a researcher on Trygve Helgaker's ERC advanced grant ABACUS, where I study formal aspects of density-functional theory. In particular, I study current-density functional theory for molecules in external magnetic fields.

Late 2014, I was awarded an ERC starting grant. The project BIVAQUM dives into the very fundamentals of quantum theory via the so-called bivariational principle. This is a generalization of the standard variational principle that is the foundation for almost every computational scheme for quantum mechanics, and represents a highly unconventional approach, yet it has great potential. The bivariational principle opens up completely new ways of deriving and analyzing methods. In particular, coupled-cluster theory (single- and multireference) may be approached in new ways using the bivariational approach.

 

Tags: Chemistry, Theoretical chemistry, coupled cluster theory, density functional theory, manybody theory

Publications

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  • Ekström, Ulf Egil; Kvaal, Simen; Borgoo, Alex; Helgaker, Trygve; Sagvolden, Espen & Tellgren, Erik (2013). Moreau-Yosida regularization of DFT.
  • Kvaal, Simen (2013). Ab initio dynamics using the coupled cluster method.
  • Kvaal, Simen (2013, 24. mai). Abels Tårn. [Radio].  NRK P2.
  • Kvaal, Simen; Ekström, Ulf Egil; Tellgren, Erik; Borgoo, Alex; Helgaker, Trygve & Sagvolden, Espen (2013). Moreau-Yosida regularization of DFT.
  • Sagvolden, Espen; Tellgren, Erik; Kvaal, Simen; Ekström, Ulf Egil; Teale, Andrew Michael & Helgaker, Trygve (2013). Building blocks of Current Density Functional Theory.
  • Sagvolden, Espen; Tellgren, Erik; Kvaal, Simen; Ekström, Ulf Egil; Teale, Andrew Michael & Helgaker, Trygve (2013). Building blocks of Current Density Functional Theory.
  • Selstø, Sølve; Kvaal, Simen; Birkeland, Tore; Nepstad, Raymond & Førre, Morten (2012). Double ionization with absorbers. EurophysicsNews.  ISSN 0531-7479.  43(1), s 15- 16
  • Kvaal, Simen (2010). Adaptive time-dependent coupled cluster method for wave-packet propagation of many-fermion systems.
  • Kvaal, Simen (2010). Time-dependent Coupled Cluster for Many-Body Quantum Dynamics.
  • Kvaal, Simen (2010). Time-dependent coupled-cluster approach to many-body quantum dynamics.
  • Kvaal, Simen (2010). Variational Principles for Coupled-Cluster Methods.
  • Kvaal, Simen; Jarlebring, Elias & Michiels, Wim (2010). A numerical method for computing the radius of convergence of Rayleigh Schroedinger Perturbation theory without the need for the terms in the series.
  • Selstø, Sølve; Førre, Morten; Kvaal, Simen; Nepstad, Raymond & Birkeland, Tore (2010). Describing double photo-ionization of helium by means of absorbing boundaries.
  • Selstø, Sølve & Kvaal, Simen (2010). Absorbing boundaries for more than one particle.
  • Selstø, Sølve & Kvaal, Simen (2010). Absorbing boundary conditions for dynamical many-particles systems.
  • Selstø, Sølve; Kvaal, Simen; Nepstad, Raymond & Førre, Morten (2010). Non-sequential double ionization of helium: Extracting the cross section.
  • Halvorsen, Tore Gunnar & Kvaal, Simen (2009). Manifestly gauge invariant discretizations of the Schrödinger equation.
  • Hjorth-Jensen, Morten & Kvaal, Simen (2009). Effective interactions and convergence criteria for configuration interaction methods .
  • Jarlebring, Elias; Kvaal, Simen & Michiels, Wim (2009). Computing all pairs (lambda,mu) such that lambda is a double eigenvalue of A + mu B .
  • Kvaal, Simen (2009). Analysis of many-body methods for quantum dots .
  • Kvaal, Simen (2009). Rigorous analysis of ab initio calculations for parabolic quantum dots.
  • Kvaal, Simen (2009). Usynlig Verden.
  • Kvaal, Simen & Halvorsen, Tore Gunnar (2009). One gauge to rule them all -- Gauge-invariant grid discretizations.
  • Hjorth-Jensen, Morten & Kvaal, Simen (2007). Similarity Transformations, Flow Equations and Many-Body Perturbation Theory: Role of Many-Body Forces.

View all works in Cristin

Published Jun 25, 2012 03:44 PM - Last modified Nov 26, 2014 09:45 AM