Random phase approximation applied to solids, molecules, and graphene-metal interfaces

Olsen, Thomas ; Thygesen, Kristian Sommer

in journal: Physical Review B (Condensed Matter and Materials Physics) (ISSN: 1098-0121), vol: 87, issue: 7, pages: 075111, 2013

Type: Journal article - Journal article

Computational screening of perovskite metal oxides for optimal solar light capture

Castelli, Ivano Eligio ; Olsen, Thomas ; Datta, Soumendu ; Dahl, Søren ; Thygesen, Kristian Sommer ; Jacobsen, Karsten Wedel

in journal: Energy & Environmental Science (ISSN: 1754-5692) (DOI: http://dx.doi.org/10.1039/c1ee02717d), 2012

Type: Journal article - Journal article

DOI: 10.1039/c1ee02717d

Extending the random-phase approximation for electronic correlation energies: the renormalized adiabatic local density approximation

Olsen, Thomas ; Thygesen, Kristian Sommer

in journal: Physical Review B (Condensed Matter and Materials Physics) (ISSN: 1098-0121) (DOI: http://dx.doi.org/10.1103/PhysRevB.86.081103), vol: 86, issue: 8, pages: 081103, 2012

Type: Journal article - Journal article

DOI: 10.1103/PhysRevB.86.081103

Dispersive and Covalent Interactions between Graphene and Metal Surfaces from the Random Phase Approximation

Olsen, Thomas ; Yan, Jun ; Mortensen, Jens Jørgen ; Thygesen, Kristian Sommer

in journal: Physical Review Letters (ISSN: 0031-9007) (DOI: http://dx.doi.org/10.1103/PhysRevLett.107.156401), vol: 107, issue: 15, pages: 156401-1, 2011

Type: Journal article - Journal article

DOI: 10.1103/PhysRevLett.107.156401

Vibrationally mediated control of single-electron transmission in weakly coupled molecule-metal junctions

Olsen, Thomas ; Schiøtz, Jakob

in journal: Physical Review B (Condensed Matter and Materials Physics) (ISSN: 1098-0121) (DOI: http://dx.doi.org/10.1103/PhysRevB.81.115443), vol: 81, issue: 11, pages: 115443, 2010

Type: Journal article - Journal article

DOI: 10.1103/PhysRevB.81.115443

Site Specificity in Femtosecond Laser Desorption of Neutral H Atoms from Graphite(0001)

Frigge, R. ; Hoger, T. ; Siemer, B. ; Witte, H. ; Silies, M. ; Zacharias, H ; Olsen, Thomas ; Schiøtz, Jakob

in journal: Physical Review Letters (ISSN: 0031-9007) (DOI: http://dx.doi.org/10.1103/PhysRevLett.104.256102), vol: 104, issue: 25, pages: 256102, 2010

Type: Journal article - Journal article

DOI: 10.1103/PhysRevLett.104.256102

Memory effects in nonadiabatic molecular dynamics at metal surfaces

Olsen, Thomas ; Schiøtz, Jakob

in journal: Journal of Chemical Physics (ISSN: 0021-9606) (DOI: http://dx.doi.org/10.1063/1.3490247), vol: 133, issue: 13, 2010

Type: Journal article - Journal article

DOI: 10.1063/1.3490247

Quantum corrected Langevin dynamics for adsorbates on metal surfaces interacting with hot electrons

Olsen, Thomas ; Schiøtz, Jakob

in journal: Journal of Chemical Physics (ISSN: 0021-9606) (DOI: http://dx.doi.org/10.1063/1.3457947), vol: 133, issue: 3, 2010

Type: Journal article - Journal article

DOI: 10.1063/1.3457947

Desorption of H atoms from graphite (0001) using XUV free electron laser pulses

Siemer, B. ; Olsen, Thomas ; Hoger, T. ; Rutkowski, M. ; Thewes, C. ; Dusterer, S. ; Schiøtz, Jakob ; Zacharias, H.

in journal: Chemical Physics Letters (ISSN: 0009-2614) (DOI: http://dx.doi.org/10.1016/j.cplett.2010.10.040), vol: 500, issue: 4-6, pages: 291-294, 2010

Type: Journal article - Journal article

DOI: 10.1016/j.cplett.2010.10.040

Models of Non-Adiabatic Dynamics at Metal Surfaces

Olsen, Thomas

Type: Ph.d. thesis - Ph.d. thesis

Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach

Gavnholt, Jeppe ; Rubio, Angel ; Olsen, Thomas ; Thygesen, Kristian Sommer ; Schiøtz, Jakob

in journal: Physical Review B (Condensed Matter and Materials Physics) (ISSN: 1098-0121) (DOI: http://dx.doi.org/10.1103/PhysRevB.79.195405), vol: 79, issue: 19, pages: 195405, 2009

Type: Journal article - Journal article

DOI: 10.1103/PhysRevB.79.195405

Hot-electron-mediated desorption rates calculated from excited-state potential energy surfaces

Olsen, Thomas ; Gavnholt, Jeppe ; Schiøtz, Jakob

in journal: Physical Review B (Condensed Matter and Materials Physics) (ISSN: 1098-0121) (DOI: http://dx.doi.org/10.1103/PhysRevB.79.035403), vol: 79, issue: 3, pages: 035403, 2009

Type: Journal article - Journal article

DOI: 10.1103/PhysRevB.79.035403

Inelastic scattering in a local polaron model with quadratic coupling to bosons

Olsen, Thomas

in journal: Physical Review B (Condensed Matter and Materials Physics) (ISSN: 1098-0121) (DOI: http://dx.doi.org/10.1103/PhysRevB.79.235414), vol: 79, issue: 23, pages: 235414, 2009

Type: Journal article - Journal article

DOI: 10.1103/PhysRevB.79.235414

Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

Hummelshøj, Jens Strabo ; Landis, David ; Voss, Johannes ; Jiang, Tao ; Tekin, Adem ; Bork, Nicolai Christian ; Dulak, Marcin ; Mortensen, Jens Jørgen ; Adamska, L. ; Andersin, J. ; Baran, J.D. ; Barmparis, G.D. ; Bell, F. ; Benzanilla, A.L. ; Bjork, J, ; Björketun, Mårten ; Bleken, F. ; Buchter, F. ; Bürkle, M. ; Burton, P.D. ; Buus, Bjarke Brink ; Calborean, A. ; Casolo, S. ; Chandler, B. ; Chi, D.H. ; Czekaj, I. ; Datta, S. ; Datye, A. ; DeLaRiva, A. ; Despoja, V. ; Dobrin, Sergey ; Engelund, Mads ; Ferrighi, L ; Frondelius, P. ; Fu, Q. ; Fuentes, A. ; Fürst, Joachim Alexander ; Garcia-Fuente, A. ; Gavnholt, Jeppe ; Goeke, R. ; Gudmundsdottir, S. ; Hammond, K.D. ; Hansen, Heine Anton ; Hibbitts, D. ; Howalt, Jakob Geelmuyden ; Hruby, S. L. ; Huth, A. ; Isaeva, L. ; Jelic, J. ; Jensen, I.J.T. ; Junior, E.H. ; Kacprzak, K.A. ; Kelkkanen, Kari André ; Kelsey, D. ; Kesanakurthi, D.S. ; Kleis, Jesper ; Klüpfel, P.J. ; Konstantinov, I. ; Korytar, R. ; Koskinen, P. ; Ande, C.K. ; Kunkes, E. ; Larsen, Ask Hjorth ; Lastra, J.M.G. ; Lin, H. ; Lopez-Acevedo, O. ; Mantega, M. ; Martinez, Jose Ignacio ; Mesa, I.N. ; Mowbray, Duncan ; Mýrdal, J.S.G. ; Natanzon, Y. ; Nistor, A. ; Olsen, Thomas ; Park, H. ; Pedroza, L.S. ; Petzold, Vivien Gabriele ; Plaisance, C. ; Rasmussen, J.A. ; Ren, H. ; Rizzi, M. ; Ronco, A.S. ; Rostgaard, Carsten ; Saadi, Souheil ; Salguero, L.A. ; Santos, E.J.G. ; Schoenhalz, A.L. ; Shen, Juan ; Smedemand, M. ; Stausholm-Møller, O.J. ; Jensen, Mogens O Stibius ; Strange, Mikkel ; Su, H.B. ; Temel, B. ; Toftelund, Anja ; Tripkovic, Vladimir ; Vallejo, Federico Calle ; Vanin, Marco ; Viswanathan, V. ; Vojvodic, Aleksandra ; Wang, Shengguang ; Wellendorff, Jess ; Thygesen, Kristian Sommer ; Rossmeisl, Jan ; Bligaard, Thomas ; Jacobsen, Karsten Wedel ; Nørskov, Jens Kehlet ; Vegge, Tejs

in journal: Journal of Chemical Physics (ISSN: 0021-9606) (DOI: http://dx.doi.org/10.1063/1.3148892), vol: 131, issue: 1, pages: 014101, 2009

Type: Journal article - Journal article

DOI: 10.1063/1.3148892

Origin of Power Laws for Reactions at Metal Surfaces Mediated by Hot Electrons

Olsen, Thomas ; Schiøtz, Jakob

in journal: Physical Review Letters (ISSN: 0031-9007) (DOI: http://dx.doi.org/10.1103/PhysRevLett.103.238301), vol: 103, issue: 23, pages: 238301, 2009

Type: Journal article - Journal article

DOI: 10.1103/PhysRevLett.103.238301

Delta self-consistent field method to obtain potential energy surfaces of excited molecules on surfaces

Gavnholt, Jeppe ; Olsen, Thomas ; Engelund, Mads ; Schiøtz, Jakob

in journal: Physical Review B (Condensed Matter and Materials Physics) (ISSN: 1098-0121) (DOI: http://dx.doi.org/10.1103/PhysRevB.78.075441), vol: 78, issue: 7, pages: 075441, 2008

Type: Journal article - Journal article

DOI: 10.1103/PhysRevB.78.075441