Hans Jo

发表

A multiconfigurational self‐consistent reaction‐field method

Trygve Helgaker, Kurt V. Mikkelsen, Hans Ågren, 1988 .

Self‐consistent reaction field calculations of photoelectron binding energies for solvated molecules

Kurt V. Mikkelsen, Hans Ågren, H. Ågren, 1989 .

Efficient optimization of large scale MCSCF wave functions with a restricted step algorithm

Hans Ågren, H. Ågren, Poul Jo, 1987 .

A direct approach to second‐order MCSCF calculations using a norm extended optimization scheme

Poul Jo, rgensen, Hans Jo, 1984 .

Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH+, CO, and H2O

Trygve Helgaker, Henrik Koch, H. Koch, 1990 .

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

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

Coupled cluster energy derivatives. Analytic Hessian for the closed‐shell coupled cluster singles and doubles wave function: Theory and applications

Trygve Helgaker, Henry F. Schaefer, Gustavo E. Scuseria, 1990 .

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 .

Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations

D. M. Bishop, Patrick Norman, David M. Bishop, 2001 .

Hartree-Fock limit magnetizabilities from London orbitals

Trygve Helgaker, Kenneth Ruud, K. Ruud, 1993 .

Analytical calculation of MCSCF dipole‐moment derivatives

Trygve Helgaker, T. Helgaker, Poul Jo, 1986 .

Systematic determination of MCSCF equilibrium and transition structures and reaction paths

Trygve Helgaker, T. Helgaker, Poul Jo, 1986 .

A multiconfiguration self‐consistent reaction field response method

Kurt V. Mikkelsen, K. Mikkelsen, Poul Jo, 1994 .

Multiconfigurational self-consistent field calculations of nuclear shieldings using London atomic orbitals

Trygve Helgaker, Kenneth Ruud, Rika Kobayashi, 1994 .

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

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

Molecular Hessians for large‐scale MCSCF wave functions

Trygve Helgaker, Jan Almlöf, T. Helgaker, 1986 .