Energy landscape of silicon systems and its description by force fields, tight binding schemes, density functional methods, and quantum Monte Carlo methods

Coupled cluster and density functional studies on geometries and energies of excited C2v states of ozone

(2009) Friedrich Grein   JOURNAL OF CHEMICAL PHYSICS

Vibrational spectroscopy of neutral silicon clusters via far-IR-VUV two color ionization

(2009) André Fielicke et al.   JOURNAL OF CHEMICAL PHYSICS

The performance of minima hopping and evolutionary algorithms for cluster structure prediction

(2009) Sandro E. Schönborn et al.   JOURNAL OF CHEMICAL PHYSICS

How to quantify energy landscapes of solids

(2009) Artem R. Oganov et al.   JOURNAL OF CHEMICAL PHYSICS

Finding mechanism of transitions in complex systems: formation and migration of dislocation kinks in a silicon crystal

(2009) Andreas Pedersen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Relative stability of extended interstitial defects in silicon: First-principles calculations

(2009) Hyoungki Park et al.   PHYSICAL REVIEW B

Daubechies wavelets as a basis set for density functional pseudopotential calculations

(2008) Luigi Genovese et al.   JOURNAL OF CHEMICAL PHYSICS

Full optimization of Jastrow–Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules

(2008) Julien Toulouse et al.   JOURNAL OF CHEMICAL PHYSICS

Challenges for ab initio defect modeling

(2008) Peter Deák et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE