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"Ab initio" liquid water
K. Laasonen
, M. Sprik
, M. Parrinello
,
Roberto Car
Chemistry
Physics
Princeton Institute for Computational Science and Engineering
Princeton Materials Institute
Research output
:
Contribution to journal
›
Article
›
peer-review
583
Scopus citations
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Keyphrases
Electronic Structure
100%
Liquid Water
100%
Lowest Unoccupied Molecular Orbital
100%
Structural Properties
50%
Electron Density
50%
Density Functional Theory
50%
Water Molecule
50%
Hydrogen Bonds (H-bonds)
50%
Ab Initio Molecular Dynamics
50%
Pseudopotential
50%
Kohn-Sham
50%
Delocalized State
50%
Excess Electron
50%
Oxygen Atom
50%
Dynamical Properties
50%
Ab Initio Molecular Dynamics Simulation
50%
Electronic Characteristics
50%
Interstitial Space
50%
Plane Wave Expansion
50%
Plane-wave Basis Set
50%
Exchange Functional
50%
Valence Orbital
50%
Chemistry
Liquid Water
100%
Electronic State
100%
Molecular Dynamics
100%
Plane Wave
100%
Lowest Unoccupied Molecular Orbital
100%
Structure
50%
Density Functional Theory
50%
Pseudopotential
50%
Hydrogen Bonding
50%
Electron Density
50%
Oxygen Atom
50%
Material Science
Liquid Water
100%
Electronic Structure
100%
Density
50%
Carrier Concentration
50%
Hydrogen Bonding
50%
Engineering
Technical Detail
50%