Electron density analysis of large (molecular and periodic) systems A parallel implementation

von Casassa, Silvia
Veröffentlicht in: Journal of computational chemistry (2015)

Accurate dynamical structure factors from ab initio lattice dynamics the case of crystalline silicon

von Erba, Alessandro
Veröffentlicht in: Journal of computational chemistry (2013)

Use of ab initio methods for the interpretation of the experimental IR reflectance spectra of crystalline compounds

von De La Pierre, Marco
Veröffentlicht in: Journal of computational chemistry (2013)

A new massively parallel version of CRYSTAL for large systems on high performance computing architectures

von Orlando, Roberto
Veröffentlicht in: Journal of computational chemistry (2012)

The calculation of static polarizabilities of 1-3D periodic compounds. the implementation in the crystal code

von Ferrero, Mauro
Veröffentlicht in: Journal of computational chemistry (2008)