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20092021
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 5k across the 12 of their papers we have counts for

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Showing 2009 · cond-mat.mtrl-sciShow all

2 papers · 2 filters

cond-mat.mtrl-sci2009★ 53 cited

Accurate Hartree-Fock energy of extended systems using large Gaussian basis sets

Joachim Paier, Cristian V. Diaconu, Gustavo E. Scuseria +3

Calculating highly accurate thermochemical properties of condensed matter via wave function-based approaches (such as e.g. Hartree-Fock or hybrid functionals) has recently attracte…

cond-mat.mtrl-sci2009★ 39 cited

Boron Nitride Nanomesh: A template for Nano-ice

Haifeng Ma, Thomas Brugger, Simon Berner +5

Using variable temperature scanning tunneling microscopy and dI/dz barrier height spectroscopy, the structure of water on h-BN/Rh(111) nanomesh has been investigated. Below its des…