Erratum: Switching in organic devices caused by nanoscale Schottky barrier patches [J. Chem. Phys. 122, 204702 (2005)]

Comment on "multireference configuration-interaction calculations for positronium halides" [J. Chem. Phys. 122, 054302 (2005)].

Erratum: "Virial coefficients and demixing in the Asakura-Oosawa model" [J. Chem. Phys. 142, 014902 (2015)].

Comment on "Dynamic ion association in aqueous solutions of sulfate" [J. Chem. Phys. 123, 034508 (2005)].

The "dynamic exchange" model of ion association proposed by Watanabe and Hamaguchi, [J. Chem. Phys.123, 034508 (2005)] for aqueous solutions of MgSO4 is shown to be inconsistent with the extensive information available from Raman, relaxation, and thermodynamic studies, all of which can be explained by the Eigen equilibrium model.

Comment on "Quasirelativistic theory equivalent to fully relativistic theory" [J. Chem. Phys. 123, 241102 (2005)].

The connection between the exact quasirelativistic approach developed in the title reference [W. Kutzelnigg and W. Liu, J. Chem. Phys. 123, 241102 (2005)] and the method of elimination of the small component in matrix form developed previously by Dyall is explicitly worked out. An equation that links Hermitian and non-Hermitian formulations of the exact quasirelativistic theory is derived. Besi...

Improved modeling of Coulomb effects in nanoscale Schottky-barrier FETs

We employ a novel multi-configurational selfconsistent Green’s function approach (MCSCG) for the simulation of nanoscale Schottky-barrier field-effect transistors. This approach allows to calculate the electronic transport with a seamless transition from the single-electron regime to room temperature field-effect transistor operation. The particular improvement of the MCSCG stems from a divisio...