Ice phases under ambient and high pressure: Insights from density functional theory
Published 2013 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Ice phases under ambient and high pressure: Insights from density functional theory
Authors
Keywords
-
Journal
PHYSICAL REVIEW B
Volume 87, Issue 21, Pages -
Publisher
American Physical Society (APS)
Online
2013-06-06
DOI
10.1103/physrevb.87.214101
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependence
- (2013) Jianwei Sun et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Effect of the orbital-overlap dependence in the meta generalized gradient approximation
- (2012) Jianwei Sun et al. JOURNAL OF CHEMICAL PHYSICS
- van der Waals interaction as a summable asymptotic series
- (2012) John P. Perdew et al. PHYSICAL REVIEW A
- Van der Waals Coefficients for Nanostructures: Fullerenes Defy Conventional Wisdom
- (2012) Adrienn Ruzsinszky et al. PHYSICAL REVIEW LETTERS
- Dispersion Interactions and Vibrational Effects in Ice as a Function of Pressure: A First Principles Study
- (2012) Éamonn D. Murray et al. PHYSICAL REVIEW LETTERS
- Accurate and Efficient Method for Many-Body van der Waals Interactions
- (2012) Alexandre Tkatchenko et al. PHYSICAL REVIEW LETTERS
- Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data
- (2011) A. Otero-de-la-Roza et al. COMPUTER PHYSICS COMMUNICATIONS
- Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like
- (2011) Andreas Møgelhøj et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method
- (2011) Jianwei Sun et al. PHYSICAL REVIEW B
- Van der Waals density functionals applied to solids
- (2011) Jiří Klimeš et al. PHYSICAL REVIEW B
- To Wet or Not to Wet? Dispersion Forces Tip the Balance for Water Ice on Metals
- (2011) Javier Carrasco et al. PHYSICAL REVIEW LETTERS
- Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures
- (2011) Biswajit Santra et al. PHYSICAL REVIEW LETTERS
- Importance of van der Waals Interactions in Liquid Water
- (2009) I-Chun Lin et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Chemical accuracy for the van der Waals density functional
- (2009) Jiří Klimeš et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Ice XV: A New Thermodynamically Stable Phase of Ice
- (2009) Christoph G. Salzmann et al. PHYSICAL REVIEW LETTERS
- Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry
- (2009) John P. Perdew et al. PHYSICAL REVIEW LETTERS
- Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
- (2009) Alexandre Tkatchenko et al. PHYSICAL REVIEW LETTERS
- Lattice match in density functional calculations: ice Ih vs. β-AgI
- (2008) Peter J. Feibelman PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now