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1. Venstresocialisterne og demokratiet: Demokratidebatten i VS 1979-1985

Author

Køber, Jesper Vestermark, Hald, Kasper Gubi, Køber, Jesper Vestermark, and Hald, Kasper Gubi

Abstract

English abstract: This thesis examines the socialism and democracy debate that occurred internally within the radical left-wing party ”Venstresocialisterne” from the late 1970s until 1985. This study is primarily based on posts from VS archives, specifically from VS-Bulletin and VS Intern Debat, two party membership magazines published by Venstresocialisterne, where party news and opinions where published. The newspaper Information is also heavily utilized in this thesis since it served as a mouthpiece for the radical left, particularly for members of VS, since the late 1960s. The thesis describes how the party Venstresocialisterne came to be and how it emerged from the initial representation of the new left in a Danish context, Socialistisk Folkeparti, representing a second generation of “The new left”. The democracy debate within VS primarily arose due to the Soviet invasion of Afghanistan in December 1979 and the party’s conflicted response to the invasion. However, it became a central conflict within the party over the years, branching into different aspect of ideological questions within VS. By focusing on a few selected central VS figures – Preben Wilhjelm, Ralf Pittelkow, and Erik Sigsgaard – with the purpose of exploring their different understandings and interpretations of the concept of democracy from at socialist point of view, the thesis aims to delve deeper into the debate and the arguments put forth by these key players. This exploration is conducted using Quentin Skinner's interpretation of concepts and words as political actions. This thesis concludes that there were indeed many different interpretations of the concept of democracy within the radical during the years described. From the Leninist hardliners in FFL to the radical humanistic view on human nature represented by Erik Sigsgaard in VS, the criticism from the right-wing, has not been sufficiently nuanced, as they often seem to overlook the fact that a party like VS was not one coherent size

Published
2024

2. Human-Robot Trust Assessment From Physical Apprehension Signals

Author

Hald, Kasper

Subjects
Human-Robot Collaboration, Human-Robot Trust, Human-Robot Interaction
Abstract

To help enable robot-augmented production, where robots assist production staff to relieve them of repetitive and strenuous tasks, the purpose of the research is enabling real-time human-robot trust assessment by inferring decreases human trust from signs of physical apprehension. To ensure safe and productive human-robot collaboration we have to ensure an appropriate level of trust in the robot, as too much trust can lead to dangerous situations, whereas too little trust can lead to loss in productivity. The main hypothesis is that if the user experiences a decrease in trust, they will increase their distance from the robot by stepping or leaning away from it.A series of experiments were performed using a Rethink Robotics Sawyer robot and an augmented reality enabled human-robot collaboration cell, using projection to display task critical information within the shared work space. Participants performed repeated tasks with the robot, midway through which the robot would disrupt the participants' expectations in order to decrease their trust towards it. Their movements were assessed using an infrared camera for body tracking to correlate it with decreases in trust.

Published
2021
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3. The Dalton quantum chemistry program system

Author

Aidas, Kestutis, Angeli, Celestino, Bak, Keld L., Bakken, Vebjørn, Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dahle, Pal, Dalskov, Erik K., Ekström, Ulf, Enevoldsen, Thomas, Eriksen, Janus J., Ettenhuber, Patrick, Fernández, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Hättig, Christof, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenæs, Eirik, Høst, Stinne, Høyvik, Ida-Marie, Iozzi, Maria Francesca, Jansík, Branislav, Jensen, Hans Jørgen Aa., Jonsson, Dan, Jørgensen, Poul, Kauczor, Joanna, Kirpekar, Sheela, Kjærgaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, Lutnæs, Ola B., Melo, Juan I., Mikkelsen, Kurt V., Myhre, Rolf H., Neiss, Christian, Nielsen, Christian B., Norman, Patrick, Olsen, Jeppe, Olsen, Jógvan Magnus H., Osted, Anders, Packer, Martin J., Pawlowski, Filip, Pedersen, Thomas B., Provasi, Patricio F., Reine, Simen, Rinkevicius, Zilvinas, Ruden, Torgeir A., Ruud, Kenneth, Rybkin, Vladimir V., Sałek, Pawel, Samson, Claire C. M., Sanchez de Merás, Alfredo, Saue, Trond, Sauer, Stephan P. A., Schimmelpfennig, Bernd, Sneskov, Kristian, Steindal, Arnfinn H., Sylvester-Hvid, Kristian O., Taylor, Peter R., Teale, Andrew M., Tellgren, Erik I., Tew, David P., Thorvaldsen, Andreas J., Thøgersen, Lea, Vahtras, Olav, Watson, Mark A., Wilson, David J. D., Ziolkowski, Marcin, Ågren, Hans, Aidas, Kestuti, Angeli, Celestino, Bak, Keld L., Bakken, Vebjørn, Bast, Radovan, Boman, Linu, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dahle, Pål, Dalskov, Erik K., Ekström, Ulf, Enevoldsen, Thoma, Eriksen, Janus J., Ettenhuber, Patrick, Fernández, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Hättig, Christof, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenæs, Eirik, Høst, Stinne, Høyvik, Ida-Marie, Iozzi, Maria Francesca, Jansík, Branislav, Jensen, Hans Jørgen Aa, Jonsson, Dan, Jørgensen, Poul, Kauczor, Joanna, Kirpekar, Sheela, Kjærgaard, Thoma, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andrea, Kristensen, Kasper, Ligabue, Andrea, Lutnæs, Ola B., Melo, Juan I., Mikkelsen, Kurt V., Myhre, Rolf H., Neiss, Christian, Nielsen, Christian B., Norman, Patrick, Olsen, Jeppe, Olsen, Jógvan Magnus H., Osted, Ander, Packer, Martin J., Pawlowski, Filip, Pedersen, Thomas B., Provasi, Patricio F., Reine, Simen, Rinkevicius, Zilvina, Ruden, Torgeir A., Ruud, Kenneth, Rybkin, Vladimir V., Sałek, Pawel, Samson, Claire C. M., de Merás, Alfredo Sánchez, Saue, Trond, Sauer, Stephan P. A., Schimmelpfennig, Bernd, Sneskov, Kristian, Steindal, Arnfinn H., Sylvester-Hvid, Kristian O., Taylor, Peter R., Teale, Andrew M., Tellgren, Erik I., Tew, David P., Thorvaldsen, Andreas J., Thøgersen, Lea, Vahtras, Olav, Watson, Mark A., Wilson, David J. D., Ziolkowski, Marcin, Ågren, Hans, Dipartimento di Chimica, Università degli Studi di Ferrara (UniFE), Centre for Theoretical and Computational Chemistry [Oslo] (CTCC), Department of Chemistry [Oslo], Faculty of Mathematics and Natural Sciences [Oslo], University of Oslo (UiO)-University of Oslo (UiO)-Faculty of Mathematics and Natural Sciences [Oslo], University of Oslo (UiO)-University of Oslo (UiO), Groupe Méthodes et outils de la chimie quantique (LCPQ) (GMO), Laboratoire de Chimie et Physique Quantiques (LCPQ), Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC), Department of Physics, Chemistry and Biology, Amsterdam Center for Multiscale Modeling, Vrije Universiteit Amsterdam [Amsterdam] (VU), Laboratory of the Department of Oncology (DEPARTMENT OF ONCOLOGY), Herlev and Gentofte Hospital, Norwegian Meteorological Institute [Oslo] (MET), Teoretisk Kemi, Aarhus University [Aarhus], Centre for Biodiversity Dynamics, Norwegian University of Science and Technology [Trondheim] (NTNU), Norwegian University of Science and Technology (NTNU)-Norwegian University of Science and Technology (NTNU), Karlsruhe Institute of Technology (KIT), Department of Theoretical Chemistry, University Düsseldorf, Department of Mathematics, Tokyo University of Science, Institut Jean-Pierre Bourgin (IJPB), Institut National de la Recherche Agronomique (INRA)-AgroParisTech, Department of Environmental Engineering, Technical University of Denmark [Lyngby] (DTU), Computer Services Networks and Systems, Università degli Studi di Modena e Reggio Emilia (UNIMORE), Hammersmith Hospital, Imperial College, London, Department of Haematology, Niels Bohr Institute [Copenhagen] (NBI), Faculty of Science [Copenhagen], University of Copenhagen = Københavns Universitet (KU)-University of Copenhagen = Københavns Universitet (KU), Centre d'études biologiques de Chizé (CEBC), Centre National de la Recherche Scientifique (CNRS), Centre for Theoretical and Computational Chemistry, University of Tromsø (UiT), Department of Electronics Materials and Devices, Ivanovo State University of Chemistry and Technology, Department of Chemistry [Copenhagen], Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT), Department of Pharmacology, Skaggs School of Pharmacy & Pharmaceutical Sciences, University of California [San Diego] (UC San Diego), University of California-University of California, School of Chemistry, University of Nottingham, UK (UON), Theoretical Chemistry, Royal Institute of Technology [Stockholm] (KTH ), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), Norwegian Meteorological Institute, Bakke, Vebjørn, Hjertenaes, Eirik, Høyvik, Ida Marie, Jensen, Hans Jørgen A. a., Kjaergaard, Thoma, Lutnaes, Ola B., Sánchez de Merás, Alfredo, Sylvester Hvid, Kristian O., Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), and Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)

Subjects
Materials Chemistry2506 Metals and Alloys, Software Focus, Ab initio electronic structure methods structure methods, ab initio calculations, VDP::Mathematics and natural science: 400::Chemistry: 440::Theoretical chemistry, quantum chemistry: 444, Computer Science Applications1707 Computer Vision and Pattern Recognition, Quantum chemistry program, Ab-initio methods, Scientific Software, Quantum Chemistry, Molecular properties, Biochemistry, Algorithms, [Electronic Structure Theory], Algorithm, Molecular propertie, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Computational Chemistry, Computational Mathematic, Faculty of Science, Physical and Theoretical Chemistry, VDP::Matematikk og Naturvitenskap: 400::Kjemi: 440::Teoretisk kjemi, kvantekjemi: 444
Abstract

Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree–Fock, Kohn–Sham, multiconfigurational self-consistent-field, Møller–Plesset, configuration-interaction, and coupled-cluster levels of theory. Apart from the total energy, a wide variety of molecular properties may be calculated using these electronic-structure models. Molecular gradients and Hessians are available for geometry optimizations, molecular dynamics, and vibrational studies, whereas magnetic resonance and optical activity can be studied in a gauge-origin-invariant manner. Frequency-dependent molecular properties can be calculated using linear, quadratic, and cubic response theory. A large number of singlet and triplet perturbation operators are available for the study of one-, two-, and three-photon processes. Environmental effects may be included using various dielectric-medium and quantum-mechanics/molecular-mechanics models. Large molecules may be studied using linear-scaling and massively parallel algorithms. Dalton is distributed at no cost from http://www.daltonprogram.org for a number of UNIX platforms. © 2013 John Wiley & Sons, Ltd. This is an open access article under the terms of the Creative Commons Attribution-NonCommercial-NoDerivs License, (CC BY-NC-ND 3.0)

Published
2014
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5. The Dalton quantum chemistry program system

Author

Aidas, Kestudis, Angeli, Celestino, Bak, Keld L., Bakken, Vebjørn, Bast, Radovan, Boman, Linus, Chistiansen, Ove, Coriani, Sonia, Dahle, Pål, Dalskov, Eric K., Ekström, Ulf, Enevoldsen, Thomas, Eriksen, Janus J., Ettenhuber, Patrick, Fernández, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Kalkier, Asger, Hättig, Chistof, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenæs, Eirik, Høst, Stinne, Melo, Juan Ignacio, and Provasi, Patricio Federico

Subjects
purl.org/becyt/ford/1 [https], COMPUTATIONAL, Física Atómica, Molecular y Química, MOLECULAR, DALTON, Ciencias Físicas, PROGRAM, purl.org/becyt/ford/1.3 [https], CIENCIAS NATURALES Y EXACTAS, PROPERTIES
Abstract

Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree–Fock, Kohn–Sham, multiconfigurational selfconsistent-field, Møller–Plesset, configuration-interaction, and coupled-cluster levels of theory. Apart from the total energy, a wide variety of molecular properties may be calculated using these electronic-structure models. Molecular gradients and Hessians are available for geometry optimizations, molecular dynamics, and vibrational studies, whereas magnetic resonance and optical activity can be studied in a gauge-origin-invariant manner. Frequency-dependent molecular properties can be calculated using linear, quadratic, and cubic response theory. A large number of singlet and triplet perturbation operators are available for the study of one-, two-, and three-photon processes. Environmental effects may be included using various dielectric-medium and quantummechanics/molecular-mechanics models. Large molecules may be studied using linear-scaling and massively parallel algorithms. Dalton is distributed at no cost from http://www.daltonprogram.org for a number of UNIX platforms. Fil: Aidas, Kestudis. Vilnius University; Lituania Fil: Angeli, Celestino. Universita Di Ferrara; Italia Fil: Bak, Keld L.. University Aarhus; Dinamarca Fil: Bakken, Vebjørn. University Of Oslo; Noruega Fil: Bast, Radovan. KTH Royal Institute of Techology; Suecia Fil: Boman, Linus. EMGS ASA; Noruega Fil: Chistiansen, Ove. Universita Di Ferrara; Italia Fil: Coriani, Sonia. Universita Degli Studi Di Trieste; Italia Fil: Dahle, Pål. Norwegian Computer Center; Noruega Fil: Dalskov, Eric K.. Systematic; Dinamarca Fil: Ekström, Ulf. University Of Oslo; Noruega Fil: Enevoldsen, Thomas. University of Southern Denmark; Dinamarca Fil: Eriksen, Janus J.. University Aarhus; Dinamarca Fil: Ettenhuber, Patrick. University Aarhus; Dinamarca Fil: Fernández, Berta. Universidad de Santiago de Compostela; España Fil: Ferrighi, Lara. University of Norway; Noruega Fil: Fliegl, Heike. University Of Oslo; Noruega Fil: Frediani, Luca. University of Norway; Noruega Fil: Hald, Kasper. Danske Bank; Dinamarca Fil: Kalkier, Asger. CSC Scandihealth; Dinamarca Fil: Hättig, Chistof. Ruhr-universität Bochum; Alemania Fil: Heiberg, Hanne. Norwegian Meterological Institute; Noruega Fil: Helgaker, Trygve. University Of Oslo; Noruega Fil: Hennum, Alf Christian. Norwegian Defence Research Establishment; Noruega Fil: Hettema, Hinne. The University Of Auckland; Nueva Zelanda Fil: Hjertenæs, Eirik. Norwegian University of Science and Technology; Noruega Fil: Høst, Stinne. University Aarhus; Dinamarca Fil: Melo, Juan Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; Argentina Fil: Provasi, Patricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Nordeste. Instituto de Modelado e Innovación Tecnológica. Universidad Nacional del Nordeste. Facultad de Ciencias Exactas Naturales y Agrimensura. Instituto de Modelado e Innovación Tecnologica; Argentina

Published
2014
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6. The Dalton quantum chemistry program system

Author

Aidas, Kestutis, Angeli, Celestino, Bak, Keld L., Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dalskov, Erik K., Enevoldsen, Thomas, Eriksen, Janus J., Ettenhuber, Patrick, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenaes, Eirik, Iozzi, Maria Francesca, Jonsson, Dan, Kauczor, Joanna, Kirpekar, Sheela, Kjaergaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, Lutnaes, Ola B., Melo, Juan I., Mikkelsen, Kurt V., Myhre, Rolf H., Neiss, Christian, Nielsen, Christian B., Norman, Patrick, Olsen, Jeppe, Osted, Anders, Packer, Martin J., Pawlowski, Filip, Pedersen, Thomas B., Provasi, Patricio F., Reine, Simen, Rinkevicius, Zilvinas, Ruden, Torgeir A., Ruud, Kenneth, Rybkin, Vladimir V., Sa?ek, Pawel, Samson, Claire C. M., Saue, Trond, Sauer, Stephan P. A., Schimmelpfennig, Bernd, Sneskov, Kristian, Steindal, Arnfinn H., Sylvester-Hvid, Kristian O., Taylor, Peter R., Teale, Andrew M., Tellgren, Erik I., Tew, David P., Thorvaldsen, Andreas J., Vahtras, Olav, Watson, Mark A., Wilson, David J. D., and Ziolkowski, Marcin

Published
2013

7. Benzene–argon triplet intermolecular potential energy surface

Author

Javier López Cacheiro, Jan Makarewicz, Henrik Koch, Poul Jørgensen, Berta Fernández, Kasper Hald, López Cacheiro, Javier, Fernández, Berta, Koch, Henrik, Makarewicz, Jan, Hald, Kasper, and Jørgensen, Poul

Subjects
Coupled cluster, Chemistry, Excited state, Atom, Intermolecular force, Singlet fission, General Physics and Astronomy, Singlet state, Physical and Theoretical Chemistry, Atomic physics, Triplet state, Ground state, Atomic and Molecular Physics, and Optics
Abstract

The benzene–Ar lowest energy triplet state T1 intermolecular potential energy surface is evaluated using coupled cluster methods and the aug-cc-pVDZ basis set extended with a set of 3s3p2d1f1g midbond functions. This surface is characterized by an absolute minimum of −392.5 cm−1, where the argon atom is located on the benzene C6 axis at a distance of 3.5153 A, and has a general shape very close to the ground state S0 and the first singlet S1 excited state surfaces. Using the T1 potential, the intermolecular vibrational energy levels were evaluated and the results compared to those for the ground S0 and the excited S1 states. The calculated fundamental frequencies for the bending and the stretching modes are lower than those in the S1 state. The calculated data for the T1 state is expected to have the same accuracy as previously calculated data for the S1 state.

Published
2003
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8. Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections

Author

Henrik Koch, Kasper Hald, Ove Christiansen, Poul Jørgensen, Hald, Kasper, Jørgensen, Poul, Christiansen, Ove, and Koch, Henrik

Subjects
Physics, Coupled cluster, Amplitude, Atomic orbital, Theoretical chemistry, General Physics and Astronomy, Singlet state, Physical and Theoretical Chemistry, Triplet state, Atomic physics, Excitation, Atomic and Molecular Physics, and Optics
Abstract

An implementation of triples corrections for the calculation of the electronic ground states and for singlet and triplet excitation energies within the CC3 model is discussed. At most objects of size V2O2 and V3O are kept in memory and on disc, respectively (V is the number of virtual orbital and O is the number of occupied orbitals). The used strategy means that more terms that scales as V4O3 has to be calculated than if the triples amplitudes are kept on disc but it allows larger cases to be handled. Sample calculations are presented for the triplet excitation energies of benzene.

Published
2002

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