Jeppe Olsen

发表

A ground-state-directed optimization scheme for the Kohn-Sham energy.

Trygve Helgaker, Simen Reine, Stinne Høst, 2008, Physical chemistry chemical physics : PCCP.

Robust and Reliable Multilevel Minimization of the Kohn-Sham Energy.

Trygve Helgaker, Stinne Høst, Branislav Jansík, 2009, Journal of chemical theory and computation.

Collecting all intermediates with an optimal scaling for the generalised-active-space coupled-cluster method with application to SbH

Jeppe Olsen, Lasse Kragh Sørensen, J. Olsen, 2017 .

Effective handling of a large configuration state function expansion for an MCSCF state and improved efficiency for two‐electron integral transformations in MCSCF

Jeppe Olsen, Danny L. Yeager, 1983 .

SplitGAS Method for Strong Correlation and the Challenging Case of Cr2.

Francesco Aquilante, Giovanni Li Manni, Jeppe Olsen, 2013, Journal of chemical theory and computation.

SIRIUS: A General Purpose Direct Second Order MCSCF Program

Jeppe Olsen, Hans Ågren, Hans Jørgen Aa. Jensen, 1989 .

Full configuration interaction benchmarking of coupled-cluster models for the lowest singlet energy surfaces of N2

Jeppe Olsen, Poul Jørgensen, Ove Christiansen, 2000 .

Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions.

Giovanni Li Manni, Jeppe Olsen, Laura Gagliardi, 2016, Journal of chemical theory and computation.

A priori calculation of molecular properties to chemical accuracy

Trygve Helgaker, Jeppe Olsen, Poul Jørgensen, 2004 .

Maximum locality in occupied and virtual orbital spaces using a least-change strategy.

Branislav Jansík, Jeppe Olsen, Poul Jørgensen, 2009, The Journal of chemical physics.

The Vegard-Kaplan band and the phosphorescent decay of N2

Trygve Helgaker, Jeppe Olsen, Poul Jørgensen, 1994 .

Surprising cases of divergent behavior in Mo/ller–Plesset perturbation theory

Jeppe Olsen, Ove Christiansen, Henrik Koch, 1996 .

Accuracy of atomization energies and reaction enthalpies in standard and extrapolated electronic wave function/basis set calculations

Trygve Helgaker, Jeppe Olsen, Poul Jørgensen, 2000 .

Finite‐element multiconfiguration Hartree–Fock calculations on the excitation energies and the ionization potential of oxygen

Jeppe Olsen, Dage Sundholm, J. Olsen, 1992 .

The trust-region self-consistent field method in Kohn-Sham density-functional theory.

Paweł Sałek, Trygve Helgaker, Jeppe Olsen, 2005, The Journal of chemical physics.

Highly accurate calculations of molecular electronic structure

Trygve Helgaker, Jeppe Olsen, Poul Jørgensen, 1999 .

Basis-set convergence in correlated calculations on Ne, N2, and H2O

Trygve Helgaker, Angela K. Wilson, Jeppe Olsen, 1998 .

Linear response calculations for large scale multiconfiguration self‐consistent field wave functions

Jeppe Olsen, J. Olsen, Poul Jo, 1988 .

Hartree–Fock and Kohn–Sham atomic-orbital based time-dependent response theory

Trygve Helgaker, Jeppe Olsen, Helena Larsen, 2000 .

Dalton, a molecular electronic structure program, Release Dalton2011

Paweł Sałek, Elias Rudberg, Luca Frediani, 2011 .

Finite element multiconfiguration Hartree–Fock determination of the nuclear quadrupole moments of chlorine, potassium, and calcium isotopes

Jeppe Olsen, Dage Sundholm, J. Olsen, 1993 .

The generalized active space concept for the relativistic treatment of electron correlation. II. Large-scale configuration interaction implementation based on relativistic 2- and 4-spinors and its application

Lucas Visscher, Jeppe Olsen, Timo Fleig, 2003 .

A direct implementation of the second-order derivatives of multiconfigurational SCF energies and an analysis of the preconditioning in the associated response equation

Roland Lindh, Markus P. Fülscher, Jeppe Olsen, 1999 .

Second‐order Mo/ller–Plesset perturbation theory as a configuration and orbital generator in multiconfiguration self‐consistent field calculations

Jeppe Olsen, Hans Ågren, J. Olsen, 1988 .

Full configuration-interaction and state of the art correlation calculations on water in a valence double-zeta basis with polarization functions

Rodney J. Bartlett, Jeppe Olsen, Poul Jørgensen, 1996 .

The accurate determination of molecular equilibrium structures

John F. Stanton, Jürgen Gauss, Trygve Helgaker, 2001 .

The prediction of molecular equilibrium structures by the standard electronic wave functions

Jürgen Gauss, Trygve Helgaker, Jeppe Olsen, 1997 .

A coupled cluster and full configuration interaction study of CN and CN

Jeppe Olsen, Lea Thøgersen, J. Olsen, 2004 .

Generalizations of Newton-Raphson and multiplicity independent Newton-Raphson approaches in multiconfigurational Hartree-Fock theory

Jeppe Olsen, Danny L. Yeager, J. Olsen, 1981 .

Recent advances in wave function-based methods of molecular-property calculations.

Trygve Helgaker, Kenneth Ruud, Sonia Coriani, 2012, Chemical reviews.

On the divergent behavior of Møller–Plesset perturbation theory for the molecular electric dipole moment

Jeppe Olsen, Poul Jørgensen, Helena Larsen, 2000 .

Novel methods for configuration interaction and orbital optimization for wave functions containing non-orthogonal orbitals with applications to the chromium dimer and trimer.

Jeppe Olsen, J. Olsen, 2015, The Journal of chemical physics.

The CASSCF method: A perspective and commentary

Jeppe Olsen, J. Olsen, 2011 .

The trust-region self-consistent field method: towards a black-box optimization in Hartree-Fock and Kohn-Sham theories.

Paweł Sałek, Trygve Helgaker, Jeppe Olsen, 2004, The Journal of chemical physics.

Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory.

Paweł Sałek, Trygve Helgaker, Simen Reine, 2007, The Journal of chemical physics.

Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling.

Trygve Helgaker, Sonia Coriani, Jeppe Olsen, 2008, The Journal of chemical physics.

Finite-element multiconfiguration Hartree-Fock calculations of electron affinities of manganese

Jeppe Olsen, Dage Sundholm, J. Olsen, 1995 .

Molecular Electronic-Structure Theory: Helgaker/Molecular Electronic-Structure Theory

Trygve Helgaker, Jeppe Olsen, Poul Jørgensen, 2000 .

The initial implementation and applications of a general active space coupled cluster method

Jeppe Olsen, J. Olsen, 2000 .

Linear-scaling implementation of molecular electronic self-consistent field theory.

Paweł Sałek, Pekka Manninen, Trygve Helgaker, 2007, The Journal of chemical physics.

Accurate photodetachment cross sections for Li

Jeppe Olsen, Poul Jørgensen, Hans Ågren, 1989 .

Direct optimization of the atomic-orbital density matrix using the conjugate-gradient method with a multilevel preconditioner

Trygve Helgaker, Jeppe Olsen, Poul Jørgensen, 2001 .

Divergent behavior of Mo/ller–Plesset perturbation theory for molecular electric dipole and quadrupole moments

Jeppe Olsen, Helena Larsen, J. Olsen, 1999 .

Geometrical derivatives and magnetic properties in atomic-orbital density-based Hartree-Fock theory

Trygve Helgaker, Jeppe Olsen, Poul Jørgensen, 2001 .

Direct iterative RPA calculations. Applications to ethylene, benzene and cytosine

Jeppe Olsen, Poul Jørgensen, Henrik Koch, 1988 .

Optimization and Characterization of a Multiconfigurational Self‐Consistent Field (MCSCF) State

Jeppe Olsen, Poul Jørgensen, Danny L. Yeager, 2007 .

The Dalton quantum chemistry program system

Luca Frediani, Thomas Kjærgaard, Trygve Helgaker, 2013, Wiley interdisciplinary reviews. Computational molecular science.

Coupled-cluster singles, doubles and triples (CCSDT) calculations of atomization energies

Jürgen Gauss, Trygve Helgaker, Jeppe Olsen, 2000 .

Non-orthogonal internally contracted multi-configurational perturbation theory (NICPT): Dynamic electron correlation for large, compact active spaces.

Jeppe Olsen, J. Olsen, Sven Kähler, 2017, The Journal of chemical physics.

Dalton, a molecular electronic structure program

Paweł Sałek, Elias Rudberg, Trygve Helgaker, 2005 .

On the inherent divergence in the Møller-Plesset series. The neon atom — a test case

Jeppe Olsen, Poul Jørgensen, Ove Christiansen, 1996 .

Basis-set convergence of the energy in molecular Hartree–Fock calculations

Trygve Helgaker, Jeppe Olsen, Poul Jørgensen, 1999 .

The augmented Roothaan-Hall method for optimizing Hartree-Fock and Kohn-Sham density matrices.

Trygve Helgaker, Stinne Høst, Branislav Jansík, 2008, The Journal of chemical physics.

The generalized active space concept for the relativistic treatment of electron correlation. III. Large-scale configuration interaction and multiconfiguration self-consistent-field four-component methods with application to UO2.

Lucas Visscher, Jeppe Olsen, Timo Fleig, 2006, The Journal of chemical physics.

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

Jeppe Olsen, Björn O. Roos, J. Olsen, 1988 .

Direct optimization of the AO density matrix in Hartree-Fock and Kohn-Sham theories

Trygve Helgaker, Jeppe Olsen, Poul Jørgensen, 2000 .

Excitation energies, transition moments and dynamic polarizabilities for CH+. A comparison of multiconfigurational linear response and full configuration interaction calculations

Jeppe Olsen, Poul Jørgensen, Hans Jørgen Aa. Jensen, 1989 .

Finite element multiconfiguration Hartree-Fock calculations on carbon, oxygen, and neon: the nuclear quadrupole moments of carbon-11, oxygen-17, and neon-21

Jeppe Olsen, Dage Sundholm, J. Olsen, 1992 .

Full configuration interaction calculations of electron-hole correlation effects in strain-induced quantum dots

Jeppe Olsen, Dage Sundholm, M. Lindberg, 2001 .

Finite element multiconfiguration Hartree-Fock determination of the atomic quadrupole moment of Ca(3d4s; 1D)

Jeppe Olsen, Dage Sundholm, J. Olsen, 1992 .

Excitation energies of BH, CH2 and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD and CC3 of coupled cluster models

Jeppe Olsen, Poul Jørgensen, Ove Christiansen, 1995 .