Density-Functional Theory forf-Electron Systems: Theα−γPhase Transition in Cerium

Random-phase approximation and its applications in computational chemistry and materials science

(2012) Xinguo Ren et al.   JOURNAL OF MATERIALS SCIENCE

Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 andGWwith numeric atom-centered orbital basis functions

(2012) Xinguo Ren et al.   NEW JOURNAL OF PHYSICS

Diffusionlessγ⇄αPhase Transition in Polycrystalline and Single-Crystal Cerium

(2011) F. Decremps et al.   PHYSICAL REVIEW LETTERS

Phonons of the anomalous element cerium

(2011) M. Krisch et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Method for locating low-energy solutions withinDFT+U

(2010) B. Meredig et al.   PHYSICAL REVIEW B

Ab initio molecular simulations with numeric atom-centered orbitals

(2009) Volker Blum et al.   COMPUTER PHYSICS COMMUNICATIONS

Role of the lattice in the two-step evolution ofγ-cerium under pressure

(2009) F. Decremps et al.   PHYSICAL REVIEW B

Hybrid functional for correlated electrons in the projector augmented-wave formalism: Study of multiple minima for actinide oxides

(2009) F. Jollet et al.   PHYSICAL REVIEW B

Comment on “Thermal Signatures of the Kondo Volume Collapse in Cerium”

(2009) B. Johansson et al.   PHYSICAL REVIEW LETTERS

Thermodynamics of the Ceγ–αtransition: Density-functional study

(2008) Y. Wang et al.   PHYSICAL REVIEW B

Locating Multiple Self-Consistent Field Solutions: An Approach Inspired by Metadynamics

(2008) Alex J. W. Thom et al.   PHYSICAL REVIEW LETTERS

Thermal Signatures of the Kondo Volume Collapse in Cerium

(2008) M. J. Lipp et al.   PHYSICAL REVIEW LETTERS