Bulk liquid water at ambient temperature and pressure from mp2 theory;Erratum: Bulk liquid water at ambient temperature and pressure from MP2 theory (J. Phys. Chem. Lett. (2013) 4: (3753-3759) DOI: 10.1021/jz401931f)

Journal of Physical Chemistry Letters

Volumn 5, Issue 17, 2014, Pages 3066-3067

  Del Ben, Mauro ^a   Schönherr, Mandes ^a   Hutter, Jürg ^a   VandeVondele, Joost ^a  

^a NONE

Author keywords

Monte Carlo; hydrogen bonding; electron correlation; liquids; density functional theory

Indexed keywords

EID: 84919632020     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz401931f     Document Type: Article

References (3)

1. Del Ben, M.; Schönherr, M.; Hutter, J.; VandeVondele, J. Bulk Liquid Water at Ambient Temperature and Pressure from MP2 Theory. J. Phys. Chem. Lett. 2013, 4, 3753-3759.
2. Schmidt, J.; VandeVondele, J.; Kuo, I.-F. W.; Sebastiani, D.; Siepmann, J. I.; Hutter, J.; Mundy, C. J. Isobaric-Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions. J. Phys. Chem. B 2009, 113, 11959-11964.
3. Skinner, L. B.; Huang, C.; Schlesinger, D.; Pettersson, L. G. M.; Nilsson, A.; Benmore, C. J. Benchmark Oxygen - Oxygen Pair-Distribution Function of Ambient Water from X-ray Diffraction Measurements with a Wide Q-Range. J. Chem. Phys. 2013, 138, 074506.