Publications of Biswajit Santra
All genres
Journal Article (9)
2014
Journal Article
Santra, Biswajit, , Alexandre Tkatchenko, , , , and Matthias Scheffler: Accuracy of van der Waals inclusive DFT functionals for ice at ambient and high pressures.
2013
Journal Article
Liu, Wei, Victor G. Ruiz, Guo-Xu Zhang, Biswajit Santra, Xinguo Ren, Matthias Scheffler and Alexandre Tkatchenko: Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response.
Journal Article
Santra, Biswajit, , Alexandre Tkatchenko, , , , and Matthias Scheffler: On the Accuracy of van der Waals Inclusive Density-Functional Theory Exchange-Correlation Functionals for Ice at Ambient and High Pressures.
2012
Journal Article
Liu, Wei, , Biswajit Santra, , Matthias Scheffler and Alexandre Tkatchenko: Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding.
2011
Journal Article
Carrasco, Javier, Biswajit Santra, and : To Wet or Not to Wet? Dispersion Forces Tip the Balance for Water Ice on Metal.
Journal Article
Santra, Biswajit, , , Alexandre Tkatchenko, , , and Matthias Scheffler: Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures.
2009
Journal Article
Santra, Biswajit, Angelos Michaelides and Matthias Scheffler: Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: The importance of monomer deformations.
2008
Journal Article
Santra, Biswajit, Angelos Michaelides, Martin Fuchs, Alexandre Tkatchenko, and Matthias Scheffler: On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions.
2007
Journal Article
Santra, Biswajit, Angelos Michaelides and Matthias Scheffler: On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit.
Thesis - PhD (1)
2010
Thesis - PhD
Santra, Biswajit: Density-Functional Theory Exchange-Correlation Functionals for Hydrogen Bonds in Water.