Research Output 1994 2019

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Journal article
1994

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

Bak, K. L., Jørgensen, P., Helgaker, T., Ruud, K. & Jensen, H. J. A., 1. Jan 1994, In : The Journal of Chemical Physics. 100, 9, p. 6620-6627 8 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Tensors
self consistent fields
tensors
orbitals
Carbodiimides

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

Hettema, H., Wormer, P. E. S., Jørgensen, P., Jensen, H. J. A. & Helgaker, T., 1. Jan 1994, In : The Journal of Chemical Physics. 100, 2, p. 1297-1302 6 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Noble Gases
Dimers
Ground state
dimers
Oxygen

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

Ruud, K., Helgaker, T., Kobayashi, R., Jørgensen, P., Bak, K. L. & Jensen, H. J. A., 1994, In : The Journal of Chemical Physics. 100, 11, p. 8178-8185 8 p.

Research output: Contribution to journalJournal articleResearchpeer-review

radiation shielding
Shielding
Gages
self consistent fields
orbitals
1995

Multiconfigurational self-consistent reaction field theory for nonequilibrium solvation

Mikkelsen, K. V., Cesar, A., Ågren, H. & Jensen, H. J. A., 1995, In : The Journal of Chemical Physics. 103, 20, p. 9010-9023 14 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Solvation
solvation
Polarization
polarization
Wave functions

Operator representations in Kramers bases

Aucar, G. A., Jensen, H. J. A. & Oddershede, J., 6. Jan 1995, In : Chemical Physics Letters. 232, 1-2, p. 47-53 7 p.

Research output: Contribution to journalJournal articleResearchpeer-review

operators
Spin polarization
Electrons
Quantum theory
Electronic structure

Relativistic corrections to molecular dynamic dipole polarizabilities

Kirpekar, S., Oddershede, J. & Jensen, H. J. A., 1995, In : The Journal of Chemical Physics. 103, 8, p. 2983-2990 8 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Molecular dynamics
dipoles
molecular dynamics
Excitation energy
approximation

Wave-packet dynamics in the Li2 E(1Σ g +) shelf state: Simultaneous observation of vibrational and rotational recurrences with single rovibronic control of an intermediate state

Papanikolas, J. M., Williams, R. M., Kleiber, P. D., Hart, J. L., Brink, C., Price, S. D. & Leone, S. R., 1. Jan 1995, In : The Journal of Chemical Physics. 103, 17, p. 7269-7276 8 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Wave packets
shelves
wave packets
synchronism
Laser pulses
1996

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

Packer, M. J., Dalskov, E. K., Enevoldsen, T., Jensen, H. J. A. & Oddershede, J., 1996, In : Journal of Chemical Physics. 105, 14, p. 5886-5900 15 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Benzene
naphthalene
benzene
Polarization
linear transformations

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

Jensen, H. J. A., Dyall, K. G., Saue, T. & Fægri, K., 1996, In : Journal of Chemical Physics. 104, 11, p. 4083-4097 15 p.

Research output: Contribution to journalJournal articleResearchpeer-review

self consistent fields
formalism
Molecules
Crystal symmetry
molecules

Screening in resonant X-ray emission of molecules

Ågren, H., Luo, Y., Gelmukhanov, F. & Jensen, H. J. A., Nov 1996, In : Journal of Electron Spectroscopy and Related Phenomena. 82, 1-2, p. 125-134 10 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Screening
screening
X rays
Molecules
Chemical shift
1997

Does scaling or addition provide the correct frequency dependence of β(-ωσ; ω1, ω2) at the correlated level? An investigation for six molecules

Dalskov, E. K., Jensen, H. J. A. & Oddershede, J., Jan 1997, In : Molecular Physics. 90, 1, p. 3-14 12 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Carbon Monoxide
scaling
Molecules
self consistent fields
molecules

Electron detachment and fragmentation in collisions between 50 keV Cn - (1 ≤ n ≤ 86) clusters and H2

Shen, H., Brink, C., Hvelplund, P. & Larsson, M. O., 1. Jan 1997, In : Zeitschrift fur Physik D-Atoms Molecules and Clusters. 40, 1-4, p. 371-374 4 p.

Research output: Contribution to journalJournal articleResearchpeer-review

detachment
fragmentation
destruction
collisions
electrons

Spin-orbit corrections to the indirect nuclear spin-spin coupling constants in XH4 (X=C, Si, Ge, and Sn)

Kirpekar, S., Jensen, H. J. A. & Oddershede, J., 1997, In : Theoretical Chemistry Accounts. 95, 1-2, p. 35-47 13 p.

Research output: Contribution to journalJournal articleResearchpeer-review

spin-spin coupling
nuclear spin
Hamiltonians
Orbits
orbits
1998

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

Ruud, K., Jonsson, D., Norman, P., Ågren, H., Saue, T., Jensen, H. J. A., Dahle, P. & Helgaker, T., 15. May 1998, In : Journal of Chemical Physics. 108, 19, p. 7973-7979 7 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Screening
screening
Optical properties
optical properties
Molecules

Monte Carlo simulations and field transformation: the scalar case

Alles, B., Butera, P., Morte, M. D. & Marchesini, G., 6. Jul 1998, In : Nuclear Physics B.

Research output: Contribution to journalJournal articleResearchpeer-review

Theoretical analysis of protein organization in lipid membranes

Gil, T., Ipsen, J. H., Mouritsen, O. G., Sabra, M. C., Sperotto, M. M. & Zuckermann, M. J., 1998, In : B B A - Biomembranes.

Research output: Contribution to journalJournal articleResearchpeer-review

1999

Off-lattice model for the phase behavior of lipid-cholesterol bilayers

Nielsen, M., Miao, L., Ipsen, J. H., Zuckermann, M. J. & Mouritsen, O. G., 1999, In : Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics.

Research output: Contribution to journalJournal articleResearchpeer-review

2000

Non-perturbative scaling tests of twisted mass QCD

Morte, M. D., Frezzotti, R., Heitger, J. & Sint, S., 31. Oct 2000, In : Nucl.Phys.Proc.Suppl..

Research output: Contribution to journalJournal articleResearchpeer-review

Sterol evolution and the physics of membranes

Nielsen, M., Thewalt, J., Miao, L., Ipsen, J. H., Bloom, M., Zuckermann, M. J. & Mouritsen, O. G., 2000, In : EPL.

Research output: Contribution to journalJournal articleResearchpeer-review

2001

A lattice approach to QCD in the chiral regime

Morte, M. D., Frezzotti, R. & Heitger, J., 23. Nov 2001, In : Nuclear and Particle Physics Proceedings.

Research output: Contribution to journalJournal articleResearchpeer-review

Cutoff effects in twisted mass lattice QCD

Morte, M. D., Frezzotti, R., Heitger, J. & Sint, S., 15. Aug 2001, In : JHEP.

Research output: Contribution to journalJournal articleResearchpeer-review

In situ atomic force microscope imaging of phospholipase A2 hydrolysis of one and two-component lipid bilayers

Kaasgaard, T., Ipsen, J. H., Mouritsen, O. G. & Jørgensen, K., 2001, In : Probe Microscopy.

Research output: Contribution to journalJournal articleResearchpeer-review

In situ atomic force microscope imaging of supported lipid bilayers

Kaasgaard, T., Leidy, C., Ipsen, J. H., Mouritsen, O. G. & Jørgensen, K., 2001, In : Single Molecules.

Research output: Contribution to journalJournal articleResearchpeer-review

Quenched twisted mass QCD at small quark masses and in large volume

Morte, M. D., Frezzotti, R. & Heitger, J., 19. Oct 2001, In : Nucl.Phys.Proc.Suppl..

Research output: Contribution to journalJournal articleResearchpeer-review

Status of APEmille

APE-Collaboration, :, Bartoloni, A., Boucaud, P., Cabibbo, N., Calvayrac, F., Morte, M. D., Pietri, R. D., Riso, P. D., Carlo, F. D., Renzo, F. D., Errico, W., Frezzotti, R., Giorgino, T., Heitger, J., Lonardo, A., Loukianov, M., Magazzu, G., Micheli, J., Morenas, V. & 14 others, Paschedag, N., Pene, O., Petronzio, R., Pleiter, D., Rapuano, F., Rolf, J., Rossetti, D., Sartori, L., Simma, H., Schifano, F., Torelli, M., Tripiccione, R., Vicini, P. & Wegner, P., 17. Oct 2001, In : Nucl.Phys.Proc.Suppl..

Research output: Contribution to journalJournal articleResearchpeer-review

The APENEXT project

Bodin, F., Boucaud, P., Cabibbo, N., Calvayrac, F., Morte, M. D., Pietri, R. D., Riso, P. D., Carlo, F. D., Renzo, F. D., Errico, W., Frezzotti, R., Gensch, U., Giorgino, T., Guagnelli, M., Herve, N., Kaldass, H., Lonardo, A., Lukyanov, M., Magazzu, G., Micheli, J. & 14 others, Morenas, V., Mori, L., Palombi, F., Paschedag, N., Pene, O., Petronzio, R., Pleiter, D., Rapuano, F., Rossetti, D., Sartori, L., Simma, H., Schifano, F., Tripiccione, R. & Vicini, P., 25. Oct 2001, In : Nucl.Phys.Proc.Suppl..

Research output: Contribution to journalJournal articleResearchpeer-review

2002

Proteoglycan and proteome profiling of central human pulmonary fibrotic tissue utilizing miniaturized sample preparation: A feasibility study

Malmström, J., Larsen, K., Hansson, L., Löfdahl, C-G., Jensen, O. N., Marko-Varga, G. & Westergren-Thorsson, G., 2002, In : Proteomics. 2, 4, p. 394-404

Research output: Contribution to journalJournal articleResearchpeer-review

Biopsy
Feasibility Studies
Proteoglycans
Proteome
Tissue

Recent results on the running coupling in QCD with two massless flavours

Morte, M. D., Frezzotti, R., Heitger, J., Knechtli, F., Rolf, J., Sommer, R. & Wolff, U., 3. Sep 2002, In : Nuclear and Particle Physics Proceedings.

Research output: Contribution to journalJournal articleResearchpeer-review

Running quark mass in two flavor QCD

Knechtli, F., Morte, M. D., Rolf, J., Sommer, R., Wetzorke, I. & Wolff, U., 3. Sep 2002, In : Nuclear and Particle Physics Proceedings.

Research output: Contribution to journalJournal articleResearchpeer-review

2003

Atomic Force Microscopy of interface-associated nano-bubbles formed by hydrophobic mismatch

Simonsen, A. C., Klösgen-Buchkremer, B. M. & Mouritsen, O. G., 2003, In : Biophysical Journal. 84, p. 469A-469A

Research output: Contribution to journalJournal articleResearch

Exploring two non-perturbative definitions of $c_A$

Dürr, S. & Morte, M. D., 26. Sep 2003, In : Nuclear and Particle Physics Proceedings.

Research output: Contribution to journalJournal articleResearchpeer-review

Large cutoff effects of dynamical Wilson fermions

Sommer, R., Aoki, S., Morte, M. D., Hoffmann, R., Kaneko, T., Knechtli, F., Rolf, J., Wetzorke, I. & Wolff, U., 26. Sep 2003, In : Nuclear and Particle Physics Proceedings.

Research output: Contribution to journalJournal articleResearchpeer-review

Lattice HQET with exponentially improved statistical precision

Morte, M. D., Durr, S., Heitger, J., Molke, H., Rolf, J., Shindler, A. & Sommer, R., 11. Jul 2003, In : Phys.Lett.B.

Research output: Contribution to journalJournal articleResearchpeer-review

Simulating the Schroedinger functional with two pseudo-fermions

Morte, M. D., Knechtli, F., Rolf, J., Sommer, R., Wetzorke, I. & Wolff, U., 7. Jul 2003, In : Comput.Phys.Commun..

Research output: Contribution to journalJournal articleResearchpeer-review

Static quarks with improved statistical precision

Morte, M. D., Durr, S., Heitger, J., Molke, H., Rolf, J., Shindler, A. & Sommer, R., 15. Sep 2003, In : Nucl.Phys.Proc.Suppl..

Research output: Contribution to journalJournal articleResearchpeer-review

Towards a precision computation of f_Bs in quenched QCD

Rolf, J., Morte, M. D., Durr, S., Heitger, J., Juttner, A., Molke, H., Shindler, A. & Sommer, R., 15. Sep 2003, In : Nuclear and Particle Physics Proceedings.

Research output: Contribution to journalJournal articleResearchpeer-review

2004

Automated termination proofs with AProVE

Giesl, J., Thiemann, R., Schneider-Kamp, P. & Falke, S., 1. Dec 2004, In : Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 3091, p. 210-220 11 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Graphical user interfaces
Termination
Graphical User Interface
Simplification
Efficient Algorithms

Computation of the strong coupling in QCD with two dynamical flavours

Morte, M. D., Frezzotti, R., Heitger, J., Rolf, J., Sommer, R. & Wolff, U., 19. Nov 2004, In : Nuclear Physics B.

Research output: Contribution to journalJournal articleResearchpeer-review

Cutoff-effects in the spectrum of dynamical Wilson fermions

Morte, M. D., Hoffmann, R., Knechtli, F. & Wolff, U., 1. Sep 2004, In : Nuclear Physics, Section B.

Research output: Contribution to journalJournal articleResearchpeer-review

Impact of large cutoff-effects on algorithms for improved Wilson fermions

Morte, M. D., Hoffmann, R., Knechtli, F. & Wolff, U., 19. May 2004, In : Comput.Phys.Commun..

Research output: Contribution to journalJournal articleResearchpeer-review

Locality with staggered fermions

Bunk, B., Morte, M. D., Jansen, K. & Knechtli, F., 22. Mar 2004, In : Nuclear Physics B.

Research output: Contribution to journalJournal articleResearchpeer-review

The locality problem for two tastes of staggered fermions

Bunk, B., Morte, M. D., Jansen, K. & Knechtli, F., 31. Aug 2004, In : Nuclear and Particle Physics Proceedings.

Research output: Contribution to journalJournal articleResearchpeer-review

Wilson-like fermions and the static B_B parameter with no chirality breaking mixings

Morte, M. D., 2. Sep 2004, In : Nuclear and Particle Physics Proceedings.

Research output: Contribution to journalJournal articleResearchpeer-review

2005

A quenched study of m_b in HQET beyond the leading order

Morte, M. D., Garron, N., Sommer, R. & Papinutto, M., 29. Sep 2005, In : PoS LAT.

Research output: Contribution to journalJournal articleResearchpeer-review

A strategy for the computation of m_b including 1/m terms

Morte, M. D., Garron, N., Sommer, R. & Papinutto, M., 22. Sep 2005, In : PoS LAT.

Research output: Contribution to journalJournal articleResearchpeer-review

Cutoff effects of Wilson fermions in the absence of spontaneous chiral symmetry breaking

Morte, M. D. & Luz, M., 20. Oct 2005, In : Phys.Lett. B.

Research output: Contribution to journalJournal articleResearchpeer-review

Heavy quark propagators with improved precision using domain decomposition

Juttner, A. & Morte, M. D., 25. Aug 2005, In : PoS LAT.

Research output: Contribution to journalJournal articleResearchpeer-review

Non-perturbative improvement of the axial current for dynamical Wilson fermions

Morte, M. D., Hoffmann, R. & Sommer, R., 3. Mar 2005, In : JHEP.

Research output: Contribution to journalJournal articleResearchpeer-review

Non-perturbative quark mass renormalization in two-flavor QCD

Morte, M. D., Hoffmann, R., Knechtli, F., Rolf, J., Sommer, R., Wetzorke, I. & Wolff, U., 23. Jul 2005, In : Nuclear Physics B.

Research output: Contribution to journalJournal articleResearchpeer-review

Non-perturbative renormalization of the axial current with dynamical Wilson fermions

Morte, M. D., Hoffmann, R., Knechtli, F., Sommer, R. & Wolff, U., 31. May 2005, In : JHEP.

Research output: Contribution to journalJournal articleResearchpeer-review