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Anzahl der Einträge in dieser Kategorie: 8.

L

Lorenz, Marco, Maschio, Lorenzo

, Usvyat, Denis und Schütz, Martin

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.

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.

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.

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.

Usvyat, Denis

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

Usvyat, Denis

, Civalleri, Bartolomeo

, Maschio, Lorenzo

, Dovesi, Roberto, Pisani, Cesari und Schütz, Martin (2011) Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: The case of LiH. The Journal of Chemical Physics 134, S. 214105.

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.

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