Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress

Zero point motion effect on the electronic properties of diamond, trans-polyacetylene and polyethylene

(2012) E. Cannuccia et al.   EUROPEAN PHYSICAL JOURNAL B

Temperature dependence of band gaps in semiconductors: Electron-phonon interaction

(2012) J. Bhosale et al.   PHYSICAL REVIEW B

Fast free-energy calculations for unstable high-temperature phases

(2012) Nikolas Antolin et al.   PHYSICAL REVIEW B

Lattice instabilities in metallic elements

(2012) Göran Grimvall et al.   REVIEWS OF MODERN PHYSICS

Lattice dynamics of anharmonic solids from first principles

(2011) O. Hellman et al.   PHYSICAL REVIEW B

Effect of the Quantum Zero-Point Atomic Motion on the Optical and Electronic Properties of Diamond and Trans-Polyacetylene

(2011) Elena Cannuccia et al.   PHYSICAL REVIEW LETTERS

Electron-Phonon Renormalization of the Direct Band Gap of Diamond

(2010) Feliciano Giustino et al.   PHYSICAL REVIEW LETTERS

Calculation of properties of crystalline lithium hydride using correlated wave function theory

(2009) S. J. Nolan et al.   PHYSICAL REVIEW B

Effect of quantization of vibrations on the structural properties of crystals

(2008) Iván Scivetti et al.   PHYSICAL REVIEW B

Entropy Driven Stabilization of Energetically Unstable Crystal Structures Explained from First Principles Theory

(2008) P. Souvatzis et al.   PHYSICAL REVIEW LETTERS