tddft.org

TDDFT.org

Time-dependent density functional theory (TDDFT) can be viewed as an exact reformulation of time-dependent quantum mechanics, where the fundamental variable is no longer the many-body wave-function but the density.". Benasque school of 2004. Talks given at the TDDFT school workshop in Benasque. A real-space, real-time implementation of TDDFT. A relativistic atomic code and pseudopotential generator. A primer in DFT. Extra information for this book, published by Springer. Carbon nanotubes under stress.

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Time-dependent density functional theory (TDDFT) can be viewed as an exact reformulation of time-dependent quantum mechanics, where the fundamental variable is no longer the many-body wave-function but the density.. Benasque school of 2004. Talks given at the TDDFT school workshop in Benasque. A real-space, real-time implementation of TDDFT. A relativistic atomic code and pseudopotential generator. A primer in DFT. Extra information for this book, published by Springer. Carbon nanotubes under stress.

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TDDFT.org | tddft.org Reviews

https://tddft.org

Time-dependent density functional theory (TDDFT) can be viewed as an exact reformulation of time-dependent quantum mechanics, where the fundamental variable is no longer the many-body wave-function but the density.". Benasque school of 2004. Talks given at the TDDFT school workshop in Benasque. A real-space, real-time implementation of TDDFT. A relativistic atomic code and pseudopotential generator. A primer in DFT. Extra information for this book, published by Springer. Carbon nanotubes under stress.

INTERNAL PAGES

tddft.org

1

Benasque 2012: Time dependent Density-Functional Theory: Prospects and Applications

http://www.tddft.org/TDDFT2012/2012tddft.htm

Benasque 2012: Time-Dependent Density-Functional Theory: Prospects and Applications. 5th International Workshop and School. 2012, January 3 - 17. Instituto de Biocomputación y Física de Sistemas Complejos, Zaragoza) A. Rubio. U País Vasco, Centro Mixto CSIC-UPV/EHU and DIPC, Donostia). Freie Universität Berlin) M.A.L. Marques. LPMCN, Université Lyon I). Universidade de Coimbra and Centro de Física Computacional). We organize this event at the Centro de Ciencias de Benasque Pedro Pascual. The first four S...

2

OctopusWiki

http://www.tddft.org/programs/octopus

Octopus is a scientific program aimed at the ab initio. Virtual experimentation on a hopefully ever-increasing range of system types. Electrons are described quantum-mechanically within density-functional theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation. Octopus 5.0.1. Updating to a new version. Octopus 4.1.2. Like Octopus on Facebook.

3

Benasque: Time dependent Density-Functional Theory: Prospectsand Applications

http://www.tddft.org/TDDFT2006/2006tddft/2006tddft.htm

Time dependent Density-Functional Theory: Prospects and Applications. 2nd International Workshop and School. 2006, August 27 - September 11. U País Vasco,. Centro Mixto CSIC-UPV/EHU and DIPC, Donostia; arubio@sc.ehu.es. Freie Universitaet Berlin ;. Niversidade de Coimbra; marques@nautilus.fis.uc.pt. Universidade de Coimbra and Centro de Física Computacional; fnog@teor.fis.uc.pt. We organize this event at the ` `Benasque Center for Science' ,. E-Mail: benasque@ecm.ub.es. PDF's of the talks. The Center wil...

4

Libxc - OctopusWiki

http://www.tddft.org/programs/octopus/wiki/index.php/Libxc

Libxc is a library of exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals that can be used by all the ETSF codes and also other codes. It can calculate the functional itself and its derivative; for some functionals, higher-order derivatives are available. Libxc is written in C and has Fortran bindings. It is released under the LGPL license (v. 3.0). Grid-based projector-augmented wave method.

5

Octopus pseudopotential generator

http://www.tddft.org/programs/octopus/pseudo.php

Uses non-local, norm-conserving Troullier-Martins pseudopotentials. You can generate them with José Luis Martins. Or use the pseudopotentials distributed from this web page. Obviously you will use the pseudopotential at your own risk, and we do not feel responsible for any (bad) result that could outcome from the use of these files. I suppose that you are grown-up and understand that ;). Just click on an element. Not everything works, but part does!

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tddft.org

TDDFT.org

Time-dependent density functional theory (TDDFT) can be viewed as an exact reformulation of time-dependent quantum mechanics, where the fundamental variable is no longer the many-body wave-function but the density.". Benasque school of 2004. Talks given at the TDDFT school workshop in Benasque. A real-space, real-time implementation of TDDFT. A relativistic atomic code and pseudopotential generator. A primer in DFT. Extra information for this book, published by Springer. Carbon nanotubes under stress.

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TDD FTW! | Test Driven Development, For the Win!

Test Driven Development, For the Win! Adding Tests to Legacy Code Part 5. February 22, 2013. This is the fifth and final part to my Adding Tests to Legacy Code post. The other 4 parts can be found here:. Adding Tests to Legacy Code Part 1. Adding Tests to Legacy Code Part 2. Adding Tests to Legacy Code Part 3. Adding Tests to Legacy Code Part 4. In this case, we need to make the mock do something so we can test the logic in the identifyUser method. PHPUnit’s mock object has a fluent interface w...The ret...

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