#### Filter Results:

- Full text PDF available (23)

#### Publication Year

1999

2018

- This year (1)
- Last 5 years (20)
- Last 10 years (37)

#### Publication Type

#### Co-author

#### Journals and Conferences

Learn More

- Lea Thøgersen, Jeppe Olsen, Danny L. Yeager, Poul Jørgensen, Paweł Sałek, Trygve Helgaker
- The Journal of chemical physics
- 2004

The trust-region self-consistent field (TRSCF) method is presented for optimizing the total energy E(SCF) of Hartree-Fock theory and Kohn-Sham density-functional theory. In the TRSCF method, both the… (More)

- Lea Thøgersen, Jeppe Olsen, Andreas Köhn, Poul Jørgensen, Paweł Sałek, Trygve Helgaker
- The Journal of chemical physics
- 2005

The trust-region self-consistent field (TRSCF) method is extended to the optimization of the Kohn-Sham energy. In the TRSCF method, both the Roothaan-Hall step and the density-subspace minimization… (More)

- Kestutis Aidas, Celestino Angeli, +81 authors Hans Ågren
- Wiley interdisciplinary reviews. Computational…
- 2014

Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree-Fock, Kohn-Sham, multiconfigurational self-consistent-field, Møller-Plesset,… (More)

- Branislav Jansik, Stinne Host, Poul Jorgensen, Jeppe Olsen, Trygve Helgaker
- The Journal of chemical physics
- 2007

We present a robust linear-scaling algorithm to compute the symmetric square-root or Lowdin decomposition of the atomic-orbital overlap matrix. The method is based on Newton-Schulz iterations with a… (More)

- Timo Fleig, Hans Jørgen Aa Jensen, Jeppe Olsen, Lucas Visscher
- The Journal of chemical physics
- 2006

We present an implementation for large-scale relativistic electronic structure calculations including spin-dependent contributions and electron correlation in a fully variational procedure. The… (More)

- Oscar Norberg, J. D. Winningham, +5 authors John Scherrer
- 2001

The miniature electron and ion spectrometer MEDUSA on Astrid-2 consists of two “top-hat”-type spherical electrostatic analyzers, sharing a common top-hat. Fast energy sweeps (16 electron sweeps and 8… (More)

- Stinne Høst, Jeppe Olsen, Branislav Jansik, Lea Thøgersen, Poul Jørgensen, Trygve Helgaker
- The Journal of chemical physics
- 2008

We present a novel method for the optimization of Hartree-Fock and Kohn-Sham energies that does not suffer from the flaws of the conventionally used two-step Roothaan-Hall (RH) with direct inversion… (More)

- T. Affolder, Hikota Akimoto, +324 authors Jonathan Siegrist
- 2008

We present searches for quark-lepton compositeness and a heavy W ′ boson at high electron-neutrino transverse mass. We use ∼110 pb−1 of data collected in pp̄ collisions at √ s = 1.8 TeV by the CDF… (More)

- Ove Christiansen, Pekka Manninen, Poul Jorgensen, Jeppe Olsen
- The Journal of chemical physics
- 2006

We present a biorthogonal formulation of coupled-cluster (CC) theory using a redundant projected atomic orbital (PAO) basis. The biorthogonal formulation provides simple equations, where the… (More)

- Branislav Jansik, Stinne Høst, Mikael P. Johansson, Jeppe Olsen, Poul Jørgensen, Trygve Helgaker
- Physical chemistry chemical physics : PCCP
- 2009

A hierarchical optimisation strategy has been introduced for minimising the Hartree-Fock/Kohn-Sham energy, consisting of three levels (3L): an atom-in-a-molecule optimisation, a valence-basis… (More)