Pressure-induced transitions in solid nitrogen: Role of dispersive interactions

A post-Hartree–Fock study of pressure-induced phase transitions in solid nitrogen: The case of the α, γ, and ε low-pressure phases

(2011) A. Erba et al.   JOURNAL OF CHEMICAL PHYSICS

Electron correlation decides the stability of cubic versus hexagonal boron nitride

(2011) Migen Halo et al.   PHYSICAL REVIEW B

Ab initio study of van der Waals and hydrogen-bonded molecular crystals with a periodic local-MP2 method

(2010) Lorenzo Maschio et al.   CRYSTENGCOMM

Search and Characterization of Transition State Structures in Crystalline Systems Using Valence Coordinates

(2010) Albert Rimola et al.   Journal of Chemical Theory and Computation

Periodic density functional theory and local-MP2 study of the librational modes of Ice XI

(2009) Alessandro Erba et al.   JOURNAL OF CHEMICAL PHYSICS

DFT and Local-MP2 Periodic Study of the Structure and Stability of Two Proton-Ordered Polymorphs of Ice

(2009) Alessandro Erba et al.   JOURNAL OF PHYSICAL CHEMISTRY B

High-Pressure Phases of Nitrogen

(2009) Chris J. Pickard et al.   PHYSICAL REVIEW LETTERS

Local MP2 periodic study of rare-gas crystals

(2008) Migen Halo et al.   CHEMICAL PHYSICS LETTERS

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

Bonding and strength of solid nitrogen in the cubic gauche (cg-N) structure

(2008) Xing-Qiu Chen et al.   PHYSICAL REVIEW B

Theoretical description of pressure- and temperature-induced structural phase transition mechanisms of nitrogen

(2008) Hannelore Katzke et al.   PHYSICAL REVIEW B