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Publikationen von Usvyat, Denis

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Gehe zu: 2013 | 2012 | 2011
Anzahl der Einträge: 10.

2013

Hinreiner, Matthias, Ryndyk, Dmitry, Usvyat, Denis, Merz, Thomas, Schütz, Martin und Richter, Klaus (2013) Influencing the conductance in biphenyl-like molecular junctions with THz radiation. physica status solidi b 250 (11), S. 2408-2416.

Masur, Oliver, Usvyat, Denis und Schütz, Martin (2013) Efficient and accurate treatment of weak pairs in local CCSD(T) calculations. Journal of Chemical Physics 139, S. 164116.

Usvyat, Denis (2013) Linear-scaling explicitly correlated treatment of solids: Periodic local MP2-F12 method. Journal of Chemical Physics 139, S. 194101.

2012

Pisani, C., Schütz, Martin, Casassa, S., Usvyat, Denis, Maschio, L., Lorenz, Marco und Erba, A. (2012) CRYSCOR: a program for the post-Hartree–Fock treatment of periodic systems. Physical Chemistry, Chemical Physics (14), S. 7615-7628.

Lorenz, Marco, Maschio, Lorenzo, Usvyat, Denis und Schütz, Martin (2012) Local ab initio methods for calculating optical bandgaps in periodic systems. II. Periodic density fitted local configuration interaction singles method for solids. Journal of Chemical Physics 137, S. 204119.

2011

Martinez-Casado, R., Mallia, G., Usvyat, Denis, Maschio, L., Casassa, S., Schütz, Martin und Harrison, N. M. (2011) He-atom scattering from MgO(100): calculating diffraction peak intensities with a semi ab initio potential. Physical Chemistry, Chemical Physics (13), S. 14750-14757.

Lorenz, Marco, Usvyat, Denis und Schütz, Martin (2011) Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymers. The Journal of Chemical Physics 134 (9), 094101.

Voloshina, Elena, Usvyat, Denis, Schütz, Martin, Dedkov, Yuriy und Paulus, Beate (2011) On the physisorption of water on graphene: a CCSD(T) study. Physical Chemistry, Chemical Physics (13), S. 12041-12047.

Halo, M., Casassa, S., Maschio, L., Pisani, C., Dovesi, R., Ehinon, D., Baraille, I., Rerat, M. und Usvyat, Denis (2011) Periodic ab initio estimates of the dispersive interaction between molecular nitrogen and a monolayer of hexagonal BN. Physical Chemistry, Chemical Physics (13), S. 4434-4443.

Martinez-Casado, R., Mallia, G., Usvyat, Denis, Maschio, L., Casassa, S., Schütz, Martin und Harrison, N. M. (2011) Periodic quantum mechanical simulation of the He-MgO(100) interaction potential. The Journal of Chemical Physics 134 (1), 014706.

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