H. Jensen

发表

Dalton, a molecular electronic structure program

Paweł Sałek, Elias Rudberg, Trygve Helgaker, 2005 .

On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f0 actinide species.

Florent Réal, Emmanuel Fromager, U. Wahlgren, 2009, The Journal of chemical physics.

The Dalton quantum chemistry program system

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

Gauge origin independent calculations of molecular magnetisabilities in relativistic four-component theory

Radovan Bast, T. Saue, H. Jensen, 2013 .

First-order MP2 molecular properties in a relativistic framework

L. Visscher, H. Jensen, J. Stralen, 2005 .

Accurate calculations of the ground state and low-lying excited states of the (RbBa)+ molecular ion: a proposed system for ultracold reactive collisions

C. Marian, S. Knecht, H. Jensen, 2010 .

Large-scale parallel configuration interaction. I. Nonrelativistic and scalar-relativistic general active space implementation with application to (Rb-Ba)+.

S. Knecht, H. Jensen, T. Fleig, 2008, The Journal of chemical physics.

Relativistic quantum chemical calculations show that the uranium molecule U2 has a quadruple bond

S. Knecht, T. Saue, H. Jensen, 2018, Nature Chemistry.

On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties

L. Visscher, T. Saue, H. Jensen, 1999 .

H. Jensen, M. S. Vad, Morten N. Pedersen, 2013, The Journal of chemical physics.

Large-scale parallel configuration interaction. II. Two- and four-component double-group general active space implementation with application to BiH.

S. Knecht, H. Jensen, T. Fleig, 2010, The Journal of chemical physics.

First-order nonadiabatic coupling matrix elements from multiconfigurational self-consistent-field response theory

J. Olsen, P. Jørgensen, T. Helgaker, 1992 .

Quadratic response functions in the time-dependent four-component Hartree-Fock approximation.

P. Norman, H. Jensen, 2004, The Journal of chemical physics.

Theoretical study on ThF+, a prospective system in search of time-reversal violation

S. Knecht, H. Jensen, T. Fleig, 2015, New Journal of Physics.

Ab initio calculations of molecular resonant photoemission spectra

H. Ågren, O. Vahtras, H. Jensen, 2000 .

The magnetic hyperpolarizability anisotropy of the neon atom

P. Jørgensen, K. Ruud, T. Helgaker, 1992 .

The nuclear spin—spin coupling in N2 and CO

P. Jørgensen, H. Ågren, T. Helgaker, 1993 .

Rotational g factors calculated for diatomic molecular cations H2+, HeH+ and NeH+

H. Jensen, J. Ogilvie, J. Oddershede, 2006 .

Multiconfigurational Quadratic Response Functions for Singlet and Triplet Perturbations: The Phosphorescence Lifetime of Formaldehyde.

H. Ågren, T. Helgaker, O. Vahtras, 1993 .

Relaxation and correlation contributions to molecular double core ionization energies

H. Ågren, H. Jensen, 1993 .

QUANTUM MECHANICS WITH CONSTRAINTS.

H. Jensen, H. Koppe, 1971 .

Frequency-dependent hyperpolarizability of hydrogen fluoride

P. Jørgensen, H. Jensen, M. Jaszuński, 1992 .

The DIRAC code for relativistic molecular calculations.

Jógvan Magnus Haugaard Olsen, K. Dyall, L. Visscher, 2020, The Journal of chemical physics.

Direct restricted-step MCSCF calculations on the structure and spectrum of cyclobutadiene

H. Ågren, H. Jensen, A. Flores-Riveros, 2009 .

Analysis of Pure Rotational and Vibration-rotational Spectra of NaCl X 1Σ+ and Quantum-chemical Calculation of Related Molecular Properties

S. Sauer, H. Jensen, J. Ogilvie, 2005 .

Accurate photodetachment cross sections for Li

Jeppe Olsen, Poul Jørgensen, Hans Ågren, 1989 .

Frequency‐dependent polarizabilities of O2 and van der Waals coefficients of dimers containing O2

T. Helgaker, P. Wormer, H. Hettema, 1994 .

Electron correlation within the relativistic no-pair approximation.

K. Dyall, S. Knecht, T. Saue, 2016, The Journal of chemical physics.

Quaternion symmetry of the Dirac equation

T. Saue, H. Jensen, 2000 .

Quaternion symmetry in relativistic molecular calculations: The Dirac–Hartree–Fock method

T. Saue, H. Jensen, 1999 .

Operator representations in Kramers bases

H. Jensen, G. Aucar, J. Oddershede, 1995 .

A direct relativistic four-component multiconfiguration self-consistent-field method for molecules.

H. Jensen, T. Fleig, J. Thyssen, 2008, The Journal of chemical physics.

Quantum-Chemical Calculations of Radial Functions for Rotational and Vibrational g Factors, Electric Dipolar Moment and Adiabatic Corrections to the Potential Energy for Analysis of Spectra of HeH+

S. Sauer, H. Jensen, J. Ogilvie, 2005 .

MC SCF optimization using the direct, restricted step, second-order norm-extended optimization method

Hans Ågren, H. Ågren, Hans Jørgen Aa. Jensen, 1984 .

A diabatic model for photoionization. Application to the inner valence x‐ray photoelectron spectrum of acetylene

Hans Ågren, R. Brammer, H. Ågren, 1986 .

SIRIUS: A General Purpose Direct Second Order MCSCF Program

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

A direct, restricted-step, second-order MC SCF program for large scale ab initio calculations

Hans Ågren, H. Ågren, Hans Jørgen Aa. Jensen, 1986 .

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.

MCSCF reaction-path energetics and thermal rate-constants for the reaction of3NH with H2

P. Jørgensen, T. Helgaker, P. Schwerdtfeger, 1994 .

Large scale random phase calculations for direct self-consistent field wavefunctions

P. Jørgensen, H. Ågren, H. Koch, 1993 .

Screening in resonant X-ray emission of molecules

H. Ågren, Yi Luo, F. Gel’mukhanov, 1996 .

An efficient method for the calculation of generalized overlap amplitudes for core photoelectron shake-up spectra

H. Ågren, Hans Jørgen Aa. Jensen, H. Jensen, 1987 .

Interconversion of diborane(4) isomers

P. Jørgensen, R. Bartlett, J. Gauss, 1992 .

Theoretical study of PbO and the PbO anion

B. Roos, M. Urban, V. Kellö, 2005 .

Multiconfigurational self-consistent reaction field theory for nonequilibrium solvation

H. Ågren, K. Mikkelsen, H. Jensen, 1995 .

Solvatochromatic shifts studied by multi-configuration self-consistent reaction field theory. Application to azabenzenes

H. Ågren, K. Mikkelsen, H. Jensen, 1992 .

On the validity of the equivalent core approximation in Born-Haber analyses of liquids and solutions

Kurt V. Mikkelsen, Hans Ågren, H. Ågren, 1988 .

Gauge origin independent calculations of nuclear magnetic shieldings in relativistic four-component theory.

T. Enevoldsen, T. Saue, H. Jensen, 2009, The Journal of chemical physics.

Linear response at the 4-component relativistic level: Application to the frequency-dependent dipole polarizabilities of the coinage metal dimers

Trond Saue, T. Saue, H. Jensen, 2003 .

The Vegard-Kaplan band and the phosphorescent decay of N2

Trygve Helgaker, Jeppe Olsen, Poul Jørgensen, 1994 .

A direct relativistic four-component multiconfiguration self-consistent-field method for molecules.

H. Jensen, T. Fleig, J. Thyssen, 2008, The Journal of chemical physics.