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Publications
2021
L. Sun
,
M.A.L. Marques
,
S. Botti
;
Direct insight into the structure-property relation of interfaces from constrained crystal structure prediction
,
12
, 811.
10.1038/s41467-020-20855-0
M. Hellgren
,
L. Baguet
,
M. Calandra
,
F. Mauri
,
L. Wirtz
;
Electronic structure of TiSe2 from a quasi-self-consistent G0W0 approach
,
103
, 075101.
10.1103/PhysRevB.103.075101
Z. Nourbakhsh
,
N. Tancogne-Dejean
,
H. Merdji
,
A. Rubio
;
High Harmonics and Isolated Attosecond Pulses from Mg O
,
15
10.1103/PhysRevApplied.15.014013
M. Mrovec
,
J.A. Berger
;
A diagonalization-free optimization algorithm for solving Kohn–Sham equations of closed-shell molecules
,
42
, 492-504.
10.1002/jcc.26472
H.-C. Wang
,
S. Botti
,
M.A.L. Marques
;
Predicting stable crystalline compounds using chemical similarity
,
7
, 12.
10.1038/s41524-020-00481-6
A. Galler
,
S. Ener
,
F. Maccari
,
I. Dirba
,
K.P. Skokov
,
O. Gutfleisch
,
S. Biermann
,
L.V. Pourovskii
;
Intrinsically weak magnetic anisotropy of cerium in potential hard-magnetic intermetallics
,
6
, 2.
10.1038/s41535-020-00301-6
K. Zantout
,
S. Backes
,
R. Valentí
;
Two-Particle Self-Consistent Method for the Multi-Orbital Hubbard Model
,
10.1002/andp.202000399
L. Lang
,
A. Payne
,
I. Valencia-Jaime
,
M.J. Verstraete
,
A. Bautista-Hernández
,
A.H. Romero
;
Assessing Nickel Titanium Binary Systems Using Structural Search Methods and Ab Initio Calculations
,
10.1021/acs.jpcc.0c10453
D. Chiriu
,
M. Pala
,
F. Pisu
,
G. Cappellini
,
P. Ricci
;
Time through colors: A kinetic model of red vermilion darkening from Raman spectra
,
DYES AND PIGMENTS
184
, 108866.
10.1016/j.dyepig.2020.108866
M.J.P. Hodgson
,
J. Wetherell
,
E. Fromager
;
Exact exchange-correlation potentials for calculating the fundamental gap with a fixed number of electrons
,
103
, 012806.
10.1103/PhysRevA.103.012806
J.A. Berger
,
P.-F. Loos
,
P. Romaniello
;
Potential Energy Surfaces without Unphysical Discontinuities: The Coulomb Hole plus Screened Exchange Approach
,
17
, 191-200.
10.1021/acs.jctc.0c00896
J.-P. Joost
,
N. Schlünzen
,
S. Hese
,
M. Bonitz
,
C. Verdozzi
,
P. Schmitteckert
,
M. Hopjan
;
Löwdin s symmetry dilemma within Green functions theory for the one-dimensional Hubbard model
,
10.1002/ctpp.202000220
2020
Ayoub Aouina
,
Matteo Gatti
,
Lucia Reining
;
Strategies to build functionals of the density, or functionals of Green s functions: what can we learn?
,
FARADAY DISCUSSIONS
224
, 27-55.
10.1039/d0fd00068j
Christian Vorwerk
,
Francesco Sottile
,
Claudia Draxl
;
Excitation pathways in resonant inelastic x-ray scattering of solids
,
PHYSICAL REVIEW RESEARCH
2
, 042003.
10.1103/PhysRevResearch.2.042003
M. Vanzini
,
F. Sottile
,
I. Reshetnyak
,
S. Ciuchi
,
L. Reining
,
M. Gatti
;
Design of auxiliary systems for spectroscopy
,
224
, 424-447.
10.1039/d0fd00067a
J. Wetherell
,
A. Costamagna
,
M. Gatti
,
L. Reining
;
Insights into one-body density matrices using deep learning
,
224
, 265-291.
10.1039/d0fd00061b
S. Di Sabatino
,
J.A. Berger
,
P. Romaniello
;
Optical spectra of 2D monolayers from time-dependent density functional theory
,
224
, 467-482.
10.1039/d0fd00073f
J.S. Zhou
,
L. Reining
,
A. Nicolaou
,
A. Bendounan
,
K. Ruotsalainen
,
M. Vanzini
,
J.J. Kas
,
J.J. Rehr
,
M. Muntwiler
,
V.N. Strocov
,
F. Sirotti
,
M. Gatti
;
Unraveling intrinsic correlation effects with angle-resolved photoemission spectroscopy
,
117
, 28596-28602.
10.1073/pnas.2012625117
M. Vandelli
,
V. Harkov
,
E.A. Stepanov
,
J. Gukelberger
,
E. Kozik
,
A. Rubio
,
A.I. Lichtenstein
;
Dual boson diagrammatic Monte Carlo approach applied to the extended Hubbard model
,
102
, 195109.
10.1103/PhysRevB.102.195109
David Jacob
,
Gianluca Stefanucci
,
Stefan Kurth
;
Mott Metal-Insulator Transition from Steady-State Density Functional Theory
,
PHYSICAL REVIEW LETTERS
125
, 216401.
10.1103/PhysRevLett.125.216401
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