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- Yuan Ping, Dario Rocca, Giulia Galli
- Chemical Society reviews
- 2013

We describe state of the art methods for the calculation of electronic excitations in solids and molecules, based on many body perturbation theory, and we discuss some applications of these methods… (More)

- Dario Rocca, Zhaojun Bai, Ren-Cang Li, Giulia Galli
- The Journal of chemical physics
- 2012

We present a technique for the iterative diagonalization of random-phase approximation (RPA) matrices, which are encountered in the framework of time-dependent density-functional theory (TDDFT) and… (More)

- Deyu Lu, Yan Li, Dario Rocca, Giulia Galli
- Physical review letters
- 2009

Intermolecular interactions in the van der Waals bonded benzene crystal are studied from first principles, by combining exact exchange energies with correlation energies defined by the adiabatic… (More)

- Sandro Sorella, Michele Casula, Dario Rocca
- The Journal of chemical physics
- 2007

We report a systematic study of the weak chemical bond between two benzene molecules. We first show that it is possible to obtain a very good description of the C(2) dimer and the benzene molecule by… (More)

- Xiaochuan Ge, Simon J. Binnie, Dario Rocca, Ralph Gebauer, Stefano Baroni
- Computer Physics Communications
- 2014

- Adam Gali, Márton Vörös, Dario Rocca, Gergely T. Zimányi, Giulia Galli
- Nano letters
- 2009

We have investigated high energy excitations in approximately 1-2 nm Si nanoparticles (NPs) by ab initio time-dependent density functional calculations, focusing on the influence on excitation… (More)

- Anant Dixit, János G. Ángyán, Dario Rocca
- The Journal of chemical physics
- 2016

A new formalism was recently proposed to improve random phase approximation (RPA) correlation energies by including approximate exchange effects [B. Mussard et al., J. Chem. Theory Comput. 12, 2191… (More)

- Fawzi Kaoui, Dario Rocca
- Journal of physics. Condensed matter : an…
- 2016

A new approach was recently presented to compute correlation energies within the random phase approximation using Lanczos chains and an optimal basis set (Rocca 2014 J. Chem. Phys. 140 18A501). This… (More)

- Dario Rocca
- The Journal of chemical physics
- 2014

A new ab initio approach is introduced to compute the correlation energy within the adiabatic connection fluctuation dissipation theorem in the random phase approximation. First, an optimally small… (More)

- Feng Wu, Andrew Galatas, Ravishankar Sundararaman, Dario Rocca, Yuan Ping
- 2017

Feng Wu, Andrew Galatas, Ravishankar Sundararaman, Dario Rocca, 5 and Yuan Ping ∗ The Department of Chemistry and Biochemistry, University of California, Santa Cruz, 95064 CA, United States The… (More)