Nuclear motion effects on the density matrix of crystals: An ab initio Monte Carlo harmonic approach

Evaluation of the electron momentum density of crystalline systems from ab initio linear combination of atomic orbitals calculations

(2012) Alessandro Erba et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Cryscor: a program for the post-Hartree–Fock treatment of periodic systems

(2012) Cesare Pisani et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The fourth age of quantum chemistry: molecules in motion

(2011) Attila G. Császár et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Anisotropy of the electron momentum distribution inα-quartz investigated by Compton scattering andab initiosimulations

(2011) Cesare Pisani et al.   PHYSICAL REVIEW B

Beyond a single-determinantal description of the density matrix of periodic systems: Experimental versus theoretical Compton profiles of crystalline silicon

(2011) A. Erba et al.   PHYSICAL REVIEW B

Probability distribution of the time-averaged mean-square displacement of a Gaussian process

(2011) Denis S. Grebenkov   PHYSICAL REVIEW E

Evidence of instantaneous electron correlation from Compton profiles of crystalline silicon

(2010) Cesare Pisani et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

MP2 versus density-functional theory study of the Compton profiles of crystalline urea

(2010) Alessandro Erba et al.   PHYSICAL REVIEW B

Hybrid functionals with local range separation

(2008) Aliaksandr V. Krukau et al.   JOURNAL OF CHEMICAL PHYSICS

Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications

(2008) Cesare Pisani et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Fitting of local densities in periodic systems

(2008) Lorenzo Maschio et al.   PHYSICAL REVIEW B

Optimal acceptance rates for Metropolis algorithms: Moving beyond 0.234

(2008) Mylène Bédard   STOCHASTIC PROCESSES AND THEIR APPLICATIONS