Sub-cycle atomic-scale forces coherently control a single-molecule switch

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

Alexandre Tkatchenko, Matthias Scheffler · Physical Review Letters · 2009 · 6.1K citations · Full text

Engineering, Correction Method, Computational Chemistry +16

Ab initio molecular simulations with numeric atom-centered orbitals

Volker Blüm, Ralf Gehrke, Felix Hanke et al. · Computer Physics Communications · 2009 · 2.8K citations · Full text

Engineering, Computational Chemistry, Chemistry +16

Introduction to scanning tunneling microscopy

Materials Characterization · 1994 · 985 citations

Engineering, Tunneling Microscopy, Physics +6

Inducing All Steps of a Chemical Reaction with the Scanning Tunneling Microscope Tip: Towards Single Molecule Engineering

Saw‐Wai Hla, Ludwig Bartels, Gerhard Meyer et al. · Physical Review Letters · 2000 · 769 citations

Engineering, Microscopy, Molecular Self-assembly +18