Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition

Optically excited structural transition in atomic wires on surfaces at the quantum limit

(2017) T. Frigge et al.   NATURE

Efficient Rotation of Local Basis Functions Using Real Spherical Harmonics

(2016) S. Maintz et al.   ACTA PHYSICA POLONICA B

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT

(2016) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Cooperative interplay between impurities and charge density wave in the phase transition of atomic wires

(2015) Hyungjoon Shim et al.   NEW JOURNAL OF PHYSICS

Interwire coupling forIn(4×1)/Si(111) probed by surface transport

(2015) F. Edler et al.   PHYSICAL REVIEW B

Rashba splitting and relativistic energy shifts in In/Si(111) nanowires

(2014) U. Gerstmann et al.   PHYSICAL REVIEW B

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids

(2013) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Microscopic properties of liquid water from combined ab initio molecular dynamics and energy decomposition studies

(2013) Rustam Z. Khaliullin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effective and accurate representation of extended Bloch states on finite Hilbert spaces

(2013) Luis A. Agapito et al.   PHYSICAL REVIEW B

Friggeet al.Reply:

(2013) T. Frigge et al.   PHYSICAL REVIEW LETTERS

Atomistic Picture of Charge Density Wave Formation at Surfaces

(2012) Simone Wall et al.   PHYSICAL REVIEW LETTERS

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

(2011) Volker L. Deringer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Influence of Na adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2) nanowire array

(2011) W. G. Schmidt et al.   PHYSICAL REVIEW B

Use of ATM in evaluating spin-density

(2010) P. C. Pattnaik et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Entropy Explains Metal-Insulator Transition of the Si(111)-In Nanowire Array

(2010) S. Wippermann et al.   PHYSICAL REVIEW LETTERS