Núria López and Group: Difference between revisions
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[http://pubs.acs.org/cgi-bin/article.cgi/jacsat/2001/123/i34/pdf/ja010963d.pdf] | [http://pubs.acs.org/cgi-bin/article.cgi/jacsat/2001/123/i34/pdf/ja010963d.pdf] | ||
Bayesian: [http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=PRLTAO000095000021216401000001&idtype=cvips] | Bayesian: [http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=PRLTAO000095000021216401000001&idtype=cvips] | ||
*'''Computational scaling''' | |||
[[Image: Computational_scaling.pdf ]] | |||
==CARLES BO AND GROUP== | ==CARLES BO AND GROUP== | ||
Revision as of 10:08, 16 September 2008
Constants
Constants of Nature (Planck, Boltzmann's, Elementary charge, ...)
Thermochemistry and Spectra database
NÚRIA LÓPEZ AND GROUP
- MatWeb Conversions
A useful unit conversor: http://www.matweb.com/tools/conversion.asp
- Cohesive Energies:
Cohesive Energies data in a pdf document: File:Cohesive Energies.pdf
- Platinum Group Metals properties
Lots of data on metals and alloys: [1] [2]
- Crystal structures:
Calculated Cell parameters for some transition and noble metals.
Crystal lattice prototypes [3]
Rutile related structures
- List of very useful papers
Fundamentals of Plane Wave calculations: [4] Test on functionals: [5] CI-NEB: d-band model: [6] Universality and related concepts: [7] [8] [9] Bayesian: [10]
- Computational scaling
File:Computational scaling.pdf