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1

Magnetic field effects on the soft mode in a singlet ground-state dimer system: A neutron scattering study of

Levenberger, Bruno, Güdel, Hans U., Feile, Rudolf, Kjems, Jo/rgen K.

Journal:

Physical Review B

Year:

1985

Language:

english

File:

PDF, 162 KB

english, 1985

2

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

Koch, Henrik, Jensen, Hans Jo̸rgen Aa., Jo̸rgensen, Poul, Helgaker, Trygve

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 762 KB

english, 1990

3

Indirect nuclear spin–spin coupling constants from multiconfiguration linear response theory

Vahtras, Olav, Ågren, Hans, Jo̸rgensen, Poul, Jo̸rgen Aa. Jensen, Hans, Padkjær, So̸ren B., Helgaker, Trygve

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 662 KB

english, 1992

4

Relativistic corrections to molecular dynamic dipole polarizabilities

Kirpekar, Sheela, Oddershede, Jens, Jensen, Hans Jo̸rgen Aagaard

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 438 KB

english, 1995

5

Nociceptive C fibre input to the primary somatosensory cortex (SI). A field potential study in the rat

Jarkko Kallioma¨ki, Han-Rong Weng, Hans-Jo¨rgen Nilsson, Jens Schouenborg

Journal:

Year:

1993

Language:

english

File:

PDF, 728 KB

english, 1993

6

Multiple spinal pathways mediate cutaneous nociceptive C fibre input to the primary somatosensory cortex (SI) in the rat

Jarkko Kallioma¨ki, Han-Rong Weng, Hans-Jo¨rgen Nilsson, Yong-Bei Yu, Jens Schouenborg

Journal:

Year:

1993

Language:

english

File:

PDF, 740 KB

english, 1993

7

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

Koch, Henrik, Jensen, Hans Jo̸rgen Aa., Jo̸rgensen, Poul, Helgaker, Trygve, Scuseria, Gustavo E., Schaefer, Henry F.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 1.31 MB

english, 1990

8

Nonlinear response theory with relaxation: The first-order hyperpolarizability

Norman, Patrick, Bishop, David M., Jensen, Hans Jo̸rgen Aa., Oddershede, Jens

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 438 KB

english, 2005

9

Multi-configuration time-dependent density-functional theory based on range separation

Fromager, Emmanuel, Knecht, Stefan, Jensen, Hans Jo̸rgen Aa.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 700 KB

english, 2013

10

On the phase identity and its thermal evolution of lead free (Bi1/2Na1/2)TiO3-6âmol% BaTiO3

Jo, Wook, Schaab, Silke, Sapper, Eva, Schmitt, Ljubomira A., Kleebe, Hans-Joachim, Bell, Andrew J., RoÌdel, JuÌrgen

Journal:

Journal of Applied Physics

Year:

2011

Language:

english

File:

PDF, 1.62 MB

english, 2011

11

On the universality of the long-/short-range separation in multiconfigurational density-functional theory

Fromager, Emmanuel, Toulouse, Julien, Jensen, Hans Jo̸rgen Aa.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 461 KB

english, 2007

12

A multiconfigurational hybrid density-functional theory

Sharkas, Kamal, Savin, Andreas, Jensen, Hans Jo̸rgen Aa., Toulouse, Julien

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 642 KB

english, 2012

13

Correlated four-component EPR g-tensors for doublet molecules

Vad, Mads S., Pedersen, Morten N., No̸rager, Anette, Jensen, Hans Jo̸rgen Aa.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 506 KB

english, 2013

14

Thermal Polymorphism and Decomposition of Y(BH 4 ) 3

Ravnsbæk, Dorthe B., Filinchuk, Yaroslav, Černý, Radovan, Ley, Morten B., Haase, Dörthe, Jakobsen, Hans J., Skibsted, Jo̷rgen, Jensen, Torben R.

Journal:

Inorganic Chemistry

Year:

2010

Language:

english

File:

PDF, 980 KB

english, 2010

15

Gauge-origin independent multiconfigurational self-consistent-field theory for vibrational circular dichroism

Bak, Keld L., Jo̸rgensen, Poul, Helgaker, Trygve, Ruud, Kenneth, Jensen, Hans Jo̸rgen Aa.

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.21 MB

english, 1993

16

Measurement of Site-Specific 13 C Spin−Lattice Relaxation in a Crystalline Protein

Lewandowski, Józef R., Sein, Julien, Sass, Hans Jürgen, Grzesiek, Stephan, Blackledge, Martin, Emsley, Lyndon

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 2.37 MB

english, 2010

17

Accurate Hartree–Fock wave functions without exponent optimization

Davis, C. L., Jensen, Hans-Jo̸rgen Aa., Monkhorst, Hendrik J.

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 1.41 MB

english, 1984

18

Analytical calculation of MCSCF dipole-moment derivatives

Helgaker, Trygve U., Jensen, Hans Jo̸rgen Aa., Jo̸rgensen, Poul

Journal:

The Journal of Chemical Physics

Year:

1986

Language:

english

File:

PDF, 668 KB

english, 1986

19

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

Olsen, Jeppe, Roos, Björn O., Jo̸rgensen, Poul, Jensen, Hans Jo̸rgen Aa.

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 759 KB

english, 1988

20

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

Knecht, Stefan, Jensen, Hans Jo̸rgen Aa., Fleig, Timo

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 638 KB

english, 2008

21

Relativistic effects on linear and nonlinear polarizabilities studied by effective-core potential, Douglas–Kroll, and Dirac–Hartree–Fock response theory

Norman, Patrick, Schimmelpfennig, Bernd, Ruud, Kenneth, Jensen, Hans Jo̸rgen Aa., Ågren, Hans

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 322 KB

english, 2002

22

Lead-free piezoceramics with giant strain in the system Bi[sub 0.5]Na[sub 0.5]TiO[sub 3]–BaTiO[sub 3]–K[sub 0.5]Na[sub 0.5]NbO[sub 3]. I. Structure and room temperature properties

Zhang, Shan-Tao, Kounga, Alain Brice, Aulbach, Emil, Granzow, Torsten, Jo, Wook, Kleebe, Hans-Joachim, Rödel, Jürgen

Journal:

Journal of Applied Physics

Year:

2008

Language:

english

File:

PDF, 1017 KB

english, 2008

23

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

Knecht, Stefan, Jensen, Hans Jo̸rgen Aa., Fleig, Timo

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 392 KB

english, 2010

24

A new implementation of the second-order polarization propagator approximation (SOPPA): The excitation spectra of benzene and naphthalene

Packer, Martin J., Dalskov, Erik K., Enevoldsen, Thomas, Jensen, Hans Jo̸rgen Aa., Oddershede, Jens

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 451 KB

english, 1996

25

Relativistic four-component multiconfigurational self-consistent-field theory for molecules: Formalism

Jo̸rgen Aa. Jensen, Hans, Dyall, Kenneth G., Saue, Trond, Fægri, Knut

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 678 KB

english, 1996

26

Systematic determination of MCSCF equilibrium and transition structures and reaction paths

Jensen, Hans Jo̸rgen Aa., Jo̸rgensen, Poul, Helgaker, Trygve

Journal:

The Journal of Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1.25 MB

english, 1986

27

Excited state structures and vibronic spectra of H2CO+, HDCO+, and D2CO+ using molecular gradient and Hessian techniques

Cesar, Amary, Ågren, Hans, Helgaker, Trygve, Jo̸rgensen, Poul, Jensen, Hans Jo̸rgen Aa.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 1.08 MB

english, 1991

28

Basis set convergence of atomic axial tensors obtained from self-consistent field calculations using London atomic orbitals

Bak, Keld L., Jo̸rgensen, Poul, Helgaker, Trygve, Ruud, Kenneth, Jo̸rgen Aa. Jensen, Hans

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 812 KB

english, 1994

29

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

Medina-Llanos, Carmen, Ågren, Hans, Mikkelsen, Kurt V., Jensen, Hans Jo̸rgen Aa.

Journal:

The Journal of Chemical Physics

Year:

1989

Language:

english

File:

PDF, 1.37 MB

english, 1989

30

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

Jensen, Hans Jo̸rgen Aa., Jo̸rgensen, Poul, Ågren, Hans

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 1.55 MB

english, 1987

31

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

Norman, Patrick, Bishop, David M., Jo̸rgen Aa. Jensen, Hans, Oddershede, Jens

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 361 KB

english, 2001

32

On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f[sup 0] actinide species

Fromager, Emmanuel, Réal, Florent, Wåhlin, Pernilla, Wahlgren, Ulf, Jensen, Hans Jo̸rgen Aa.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.41 MB

english, 2009

33

Interconversion of diborane (4) isomers

Stanton, John F., Gauss, Jürgen, Bartlett, Rodney J., Helgaker, Trygve, Jo̸rgensen, Poul, Jensen, Hans Jorgen Aa., Taylor, Peter R.

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 708 KB

english, 1992

34

Uniform multiatomic step arrays formed by atomic hydrogen assisted molecular beam epitaxy on GaAs (331) substrates

Schönherr, Hans-Peter, Fricke, Jörg, Niu, Zhichuan, Friedland, Klaus-Jürgen, Nötzel, Richard, Ploog, Klaus H.

Journal:

Applied Physics Letters

Year:

1998

Language:

english

File:

PDF, 475 KB

english, 1998

35

Generalized integral-screening for efficient calculations of nonlinear optical properties of large molecules

Ruud, Kenneth, Jonsson, Dan, Norman, Patrick, Ågren, Hans, Saue, Trond, Jensen, Hans Jo̸rgen Aa., Dahle, Pål, Helgaker, Trygve

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 387 KB

english, 1998

36

Velocity-matching model for electron capture in keV atomic collisions

Sidky, Emil Y., Simonsen, Hans-Jo/rgen T.

Journal:

Physical Review A

Year:

1996

Language:

english

File:

PDF, 245 KB

english, 1996

37

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

Ruud, Kenneth, Helgaker, Trygve, Kobayashi, Rika, Jo̸rgensen, Poul, Bak, Keld L., Jensen, Hans Jo̸rgen Aa.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 833 KB

english, 1994

38

Multiconfigurational quadratic response functions for singlet and triplet perturbations: The phosphorescence lifetime of formaldehyde

Vahtras, Olav, Ågren, Hans, Jo̸rgensen, Poul, Jensen, Hans Jo̸rgen Aa., Helgaker, Trygve, Olsen, Jeppe

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 869 KB

english, 1992

39

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 UO[sub 2]

Fleig, Timo, Jensen, Hans Jo̸rgen Aa., Olsen, Jeppe, Visscher, Lucas

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 569 KB

english, 2006

40

Hartree–Fock limit magnetizabilities from London orbitals

Ruud, Kenneth, Helgaker, Trygve, Bak, Keld L., Jo̸rgensen, Poul, Jensen, Hans Jo̸rgen Aa.

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.13 MB

english, 1993

41

Accurate static and dynamic polarizabilities of

Ågren, Hans, Olsen, Jeppe, Jensen, Hans Jo/rgen Aa., Jo/rgensen, Poul

Journal:

Physical Review A

Year:

1989

Language:

english

File:

PDF, 225 KB

english, 1989

42

Two-photon absorption in the relativistic four-component Hartree–Fock approximation

Henriksson, Johan, Norman, Patrick, Jensen, Hans Jo̸rgen Aa.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 380 KB

english, 2005

43

Quadratic response functions for a multiconfigurational self-consistent field wave function

Hettema, Hinne, Jensen, Hans Jo̸rgen Aa., Jo̸rgensen, Poul, Olsen, Jeppe

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 1.32 MB

english, 1992

44

Measuring normal and friction forces acting on individual fine particles

Ecke, Stefan, Raiteri, Roberto, Bonaccurso, Elmar, Reiner, Christof, Deiseroth, Hans-Jörg, Butt, Hans-Jürgen

Journal:

Review of Scientific Instruments

Year:

2001

Language:

english

File:

PDF, 650 KB

english, 2001

45

Kinetics of [sup 76]Br-labeled anti-CEA antibodies in pigs; Aspects of dosimetry and PET imaging properties

Lövqvist, Anna, Lundqvist, Hans, Lubberink, Mark, Tolmachev, Vladimir, Carlsson, Jörgen, Sundin, Anders

Journal:

Medical Physics

Year:

1999

Language:

english

File:

PDF, 504 KB

english, 1999

46

Polarization propagator calculations with an AGP reference state

Weiner, B., Jensen, Hans-Jo̸rgen Aa., Öhrn, Y.

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 1.07 MB

english, 1984

47

Second-order Mo̸ller–Plesset perturbation theory as a configuration and orbital generator in multiconfiguration self-consistent field calculations

Jensen, Hans Jo̸rgen Aa., Jo̸rgensen, Poul, Ågren, Hans, Olsen, Jeppe

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 685 KB

english, 1988

48

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

Jo̸rgensen, Poul, Jensen, Hans Jo̸rgen Aagaard, Olsen, Jeppe

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 793 KB

english, 1988

49

A multiconfigurational self-consistent reaction-field method

Mikkelsen, Kurt V., Ågren, Hans, Jensen, Hans Jo̸rgen Aa., Helgaker, Trygve

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 899 KB

english, 1988

50

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

Bak, Keld Lars, Jo̸rgensen, Poul, Jensen, Hans Jo̸rgen Aa., Olsen, Jeppe, Helgaker, Trygve

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 1.05 MB

english, 1992