Roberto Orlando

According to our database1, Roberto Orlando authored at least 9 papers between 2004 and 2015.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

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Bibliography

2015
Electron density analysis of large (molecular and periodic) systems: A parallel implementation.
J. Comput. Chem., 2015

2013
Use of <i>ab initio</i> methods for the interpretation of the experimental IR reflectance spectra of crystalline compounds.
J. Comput. Chem., 2013

Accurate dynamical structure factors from <i>ab initio</i> lattice dynamics: The case of crystalline silicon.
J. Comput. Chem., 2013

2012
A new massively parallel version of CRYSTAL for large systems on high performance computing architectures.
J. Comput. Chem., 2012

2011
Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of forsterite Mg<sub>2</sub>SiO<sub>4</sub>.
J. Comput. Chem., 2011

2008
<i>Ab initio</i> simulation of the IR spectra of pyrope, grossular, and andradite.
J. Comput. Chem., 2008

The calculation of static polarizabilities of 1-3D periodic compounds. the implementation in the crystal code.
J. Comput. Chem., 2008

2004
Calculation of the vibration frequencies of α-quartz: The effect of Hamiltonian and basis set.
J. Comput. Chem., 2004

The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code.
J. Comput. Chem., 2004


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