deletions | additions
diff --git a/bibliography/biblio.bib b/bibliography/biblio.bib
index dec7867..43cefd5 100644
--- a/bibliography/biblio.bib
+++ b/bibliography/biblio.bib
...
booktitle = {Topics in Applied Physics},
}
@article{Sakko2010,
author =
"Sakko, {Sakko, Arto and Rubio, Angel and Hakala, Mikko and H\"am\"al\"ainen,
Keijo", Keijo},
title =
"Time-dependent {{Time-dependent density functional approach for the calculation of inelastic x-ray scattering spectra of
molecules", molecules}},
journal =
"The {The Journal of Chemical
Physics", Physics},
year =
"2010", {2010},
volume =
"133", {133},
number =
"17", {17},
eid =
174111, {174111},
pages =
"-", {-},
url =
"http://scitation.aip.org/content/aip/journal/jcp/133/17/10.1063/1.3503594", {http://scitation.aip.org/content/aip/journal/jcp/133/17/10.1063/1.3503594},
doi =
"10.1063/1.3503594" {10.1063/1.3503594},
}
@article{QE-2009,
Author author = {Paolo Giannozzi and Stefano Baroni and Nicola Bonini and Matteo Calandra and Roberto Car and Carlo Cavazzoni and Davide Ceresoli and Guido L Chiarotti and Matteo Cococcioni and Ismaila Dabo and Andrea {Dal Corso} and Stefano de Gironcoli and Stefano Fabris and Guido Fratesi and Ralph Gebauer and Uwe Gerstmann and Christos Gougoussis and Anton Kokalj and Michele Lazzeri and Layla Martin-Samos and Nicola Marzari and Francesco Mauri and Riccardo Mazzarello and Stefano Paolini and Alfredo Pasquarello and Lorenzo Paulatto and Carlo Sbraccia and Sandro Scandolo and Gabriele Sclauzero and Ari P Seitsonen and Alexander Smogunov and Paolo Umari and Renata M Wentzcovitch},
Journal journal = {Journal of Physics: Condensed Matter},
Number number = {39},
Pages pages = {395502 (19pp)},
Title title =
{QUANTUM {{QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of
materials},
Url materials}},
url = {http://www.quantum-espresso.org},
Volume volume = {21},
Year year =
{2009}} {2009},
}
@BOOK{LAPACK,
AUTHOR author = {Anderson, E. and Bai, Z. and Bischof, C. and Blackford, S. and Demmel, J. and Dongarra, J. and Du Croz, J. and Greenbaum, A. and Hammarling, S. and McKenney, A. and Sorensen, D.},
TITLE title =
{{LAPACK} {{{LAPACK} Users'
Guide},
EDITION Guide}},
edition = {Third},
PUBLISHER publisher = {Society for Industrial and Applied Mathematics},
YEAR year = {1999},
ADDRESS address = {Philadelphia,
PA}} PA},
}
@article{Strubbe_forces,
author =
"David {David A. Strubbe and Jeffrey C.
Grossman", Grossman},
title =
"Photoisomerization {{Photoisomerization dynamics of solar thermal fuels with TDDFT excited-state
forces", forces}},
journal =
"in preparation", {in preparation},
}
@article{Sitt2007,
month = {Nov},
url = {http://link.aps.org/doi/10.1103/PhysRevA.76.054501},
publisher = {American Physical Society},
author = {Sitt, Amit and Kronik, Leeor and Ismail-Beigi, Sohrab and Chelikowsky, James R.},
title =
{Excited-state {{Excited-state forces within time-dependent density-functional theory: A frequency-domain
approach}, approach}},
year = {2007},
pages = {054501},
journal = {Phys. Rev. A},
volume = {76},
numpages = {4},
doi = {10.1103/PhysRevA.76.054501},
issue =
{5} {5},
}
@article{Tsukagoshi2012,
title =
{Analytical {{Analytical expression for the excited-state force from density-functional perturbation
theory}, theory}},
author = {Tsukagoshi, Takayuki and Sugino, Osamu},
journal = {Phys. Rev. A},
volume = {86},
...
month = {Dec},
doi = {10.1103/PhysRevA.86.064501},
url = {http://link.aps.org/doi/10.1103/PhysRevA.86.064501},
publisher = {American Physical
Society} Society},
}
@article{Hutter2003,
author =
"Hutter, J\"{u}rg", {Hutter, J\"{u}rg},
title =
"Excited {{Excited state nuclear forces from the Tamm-Dancoff approximation to time-dependent density functional theory within the plane wave basis set
framework", framework}},
journal =
"The {The Journal of Chemical
Physics", Physics},
year =
"2003", {2003},
volume =
"118", {118},
number =
"9", {9},
eid =
, {},
pages =
"3928-3934", {3928-3934},
url =
"http://scitation.aip.org/content/aip/journal/jcp/118/9/10.1063/1.1540109", {http://scitation.aip.org/content/aip/journal/jcp/118/9/10.1063/1.1540109},
doi =
"http://dx.doi.org/10.1063/1.1540109"
}
@incollection {Strubbe2012,
author = {Strubbe, David A. and Lehtovaara, Lauri and Rubio, Angel and Marques, Miguel A. L. and Louie, Steven G.},
affiliation = {Department of Physics, University of California, 366 LeConte Hall MC 7300, Berkeley, CA 94720-7300, USA},
title = {Response Functions in TDDFT: Concepts and Implementation},
booktitle = {Fundamentals of Time-Dependent Density Functional Theory},
series = {Lecture Notes in Physics},
editor = {Marques, Miguel A. L. and Maitra, Neepa T. and Nogueira, Fernando M. S. and Gross, E. K. U. and Rubio, Angel},
publisher = {Springer Berlin / Heidelberg},
isbn = {978-3-642-23517-7},
keyword = {Physics and Astronomy},
pages = {139-166},
volume = {837},
url = {http://dx.doi.org/10.1007/978-3-642-23518-4_7},
note = {10.1007/978-3-642-23518-4_7},
year = {2012} {http://dx.doi.org/10.1063/1.1540109},
}
@incollection{Strubbe2012,
author = {Strubbe, David A. and Lehtovaara, Lauri and Rubio, Angel and Marques, Miguel A. L. and Louie, Steven G.},
affiliation = {Department of Physics, University of California, 366 LeConte Hall MC 7300, Berkeley, CA 94720-7300, USA},
title = {{Response Functions in TDDFT: Concepts and Implementation}},
booktitle = {Fundamentals of Time-Dependent Density Functional Theory},
series = {Lecture Notes in Physics},
editor = {Marques, Miguel A. L. and Maitra, Neepa T. and Nogueira, Fernando M. S. and Gross, E. K. U. and Rubio, Angel},
publisher = {Springer Berlin / Heidelberg},
isbn = {978-3-642-23517-7},
keyword = {Physics and Astronomy},
pages = {139-166},
volume = {837},
url = {http://dx.doi.org/10.1007/978-3-642-23518-4_7},
note = {10.1007/978-3-642-23518-4_7},
year = {2012},
}
@Article{Gonze1997,
title =
{Dynamical {{Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation
theory }, theory}},
author = {Gonze, Xavier and Lee,
Changyol }, Changyol},
journal = {Phys. Rev. B},
volume = {55},
number = {16},
...
year = {1997},
month = {Apr},
doi = {10.1103/PhysRevB.55.10355},
publisher = {American Physical
Society} Society},
}
@Article{Yaschenko1998,
title =
{Macroscopic {{Macroscopic polarization as a discrete Berry phase of the Hartree-Fock wave function: The single-point
limit}, limit}},
author = {Yaschenko, E. and Fu, L. and Resca, L. and Resta,
R. }, R.},
journal = {Phys. Rev. B},
volume = {58},
number = {3},
...
year = {1998},
month = {Jul},
doi = {10.1103/PhysRevB.58.1222},
publisher = {American Physical
Society} Society},
}
@article{Oliveira2008,
title =
"Generating {{Generating relativistic pseudo-potentials with explicit incorporation of semi-core states using APE, the Atomic Pseudo-potentials
Engine ", Engine}},
journal =
"Computer {Computer Physics
Communications ", Communications},
volume =
"178", {178},
number =
"7", {7},
pages =
"524 {524 -
534", 534},
year =
"2008", {2008},
note =
"", {},
issn =
"0010-4655", {0010-4655},
doi =
"http://dx.doi.org/10.1016/j.cpc.2007.11.003", {http://dx.doi.org/10.1016/j.cpc.2007.11.003},
url =
"http://www.sciencedirect.com/science/article/pii/S0010465507004651", {http://www.sciencedirect.com/science/article/pii/S0010465507004651},
author =
"Micael {Micael J.T. Oliveira and Fernando
Nogueira", Nogueira},
keywords =
"Pseudo-potential",
keywords {Density functional},
}
@article{Puschnig_2009,
doi =
"Electronic structure",
keywords {10.1126/science.1176105},
url = {http://dx.doi.org/10.1126/science.1176105},
year = {2009},
month = {sep},
publisher = {American Association for the Advancement of Science ({AAAS})},
volume = {326},
number = {5953},
pages = {702--706},
author = {P. Puschnig and S. Berkebile and A. J. Fleming and G. Koller and K. Emtsev and T. Seyller and J. D. Riley and C. Ambrosch-Draxl and F. P. Netzer and M. G. Ramsey},
title = {{Reconstruction of Molecular Orbital Densities from Photoemission Data}},
journal =
"Density functional ", {Science},
}
