Xavier Blase: search on Z-Library

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1

The Bethe–Salpeter equation in chemistry: relations with TD-DFT, applications and challenges

Blase, Xavier, Duchemin, Ivan, Jacquemin, Denis

Journal:

Chemical Society Reviews

Year:

2018

Language:

english

File:

PDF, 3.66 MB

english, 2018

2

Giant osmotic energy conversion measured in a single transmembrane boron nitride nanotube

Siria, Alessandro, Poncharal, Philippe, Biance, Anne-Laure, Fulcrand, Rémy, Blase, Xavier, Purcell, Stephen T., Bocquet, Lydéric

Journal:

Year:

2013

Language:

english

File:

PDF, 662 KB

english, 2013

3

0-0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2 and BSE/GW formalisms for 80 Real-Life Compounds

Jacquemin, Denis, Duchemin, Ivan, Blase, Xavier

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.97 MB

english, 2015

4

Accurate description of charged excitations in molecular solids from embedded many-body perturbation theory

Li, Jing, D'Avino, Gabriele, Duchemin, Ivan, Beljonne, David, Blase, Xavier

Journal:

Physical Review B

Year:

2018

Language:

english

File:

PDF, 1.37 MB

english, 2018

5

Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA

Duchemin, Ivan, Blase, Xavier

Journal:

The Journal of Chemical Physics

Year:

2019

File:

PDF, 1.57 MB

2019

6

Superconductivity in doped clathrates, diamond and silicon

Journal:

Comptes Rendus Physique

Year:

2011

File:

PDF, 439 KB

2011

7

Quantum transport properties of chemically functionalized long semiconducting carbon nanotubes

Alejandro Lopez-Bezanilla, Xavier Blase, Stephan Roche

Journal:

Year:

2010

Language:

english

File:

PDF, 595 KB

english, 2010

8

Superconducting group-IV semiconductors

Blase, Xavier, Bustarret, Etienne, Chapelier, Claude, Klein, Thierry, Marcenat, Christophe

Journal:

Nature Materials

Year:

2009

Language:

english

File:

PDF, 1.26 MB

english, 2009

9

Boron-nitride and boron-carbonitride nanotubes: synthesis, characterization and theory

Arenal, Raul, Blase, Xavier, Loiseau, Annick

Journal:

Advances In Physics

Year:

2010

Language:

english

File:

PDF, 5.35 MB

english, 2010

10

Electron–phonon coupling and charge-transfer excitations in organic systems from many-body perturbation theory

Faber, Carina, Duchemin, Ivan, Deutsch, Thierry, Attaccalite, Claudio, Olevano, Valerio, Blase, Xavier

Journal:

Journal of Materials Science

Year:

2012

Language:

english

File:

PDF, 444 KB

english, 2012

11

Many-body Green's function study of coumarins for dye-sensitized solar cells

Faber, Carina, Duchemin, Ivan, Deutsch, Thierry, Blase, Xavier

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.16 MB

english, 2012

12

[IEEE 13th International Workshop on Computational Electronics (IWCE) - Beijing, China (2009.05.27-2009.05.29)] 2009 13th International Workshop on Computational Electronics - Atomistic Tight-Binding Approaches to Quantum Transport

Niquet, Yann-Michel, Lherbier, Aurelien, Persson, Martin P., Triozon, Francois, Roche, Stephan, Blase, Xavier, Rideau, Denis

Year:

2009

Language:

english

File:

PDF, 827 KB

english, 2009

13

Resonant hot charge-transfer excitations in fullerene-porphyrin complexes: Many-body Bethe-Salpeter study

Duchemin, Ivan, Blase, Xavier

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 1.12 MB

english, 2013

14

study of the metal-insulator transition of bcc hydrogen

Li, Je-Luen, Rignanese, G.-M., Chang, Eric K., Blase, Xavier, Louie, Steven G.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 71 KB

english, 2002

15

Combining the Bethe–Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples

Boulanger, Paul, Chibani, Siwar, Le Guennic, Boris, Duchemin, Ivan, Blase, Xavier, Jacquemin, Denis

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 7.70 MB

english, 2014

16

Benchmark Many-Body GW and Bethe–Salpeter Calculations for Small Transition Metal Molecules

Körbel, Sabine, Boulanger, Paul, Duchemin, Ivan, Blase, Xavier, Marques, Miguel A. L., Botti, Silvana

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 1.21 MB

english, 2014

17

Quasiparticle band structure of lanthanum hydride

Chang, Eric K., Blase, Xavier, Louie, Steven G.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 83 KB

english, 2001

18

Guest displacement in silicon clathrates

Tournus, Florent, Masenelli, Bruno, Mélinon, Patrice, Connétable, Damien, Blase, Xavier, Flank, Anne Marie, Lagarde, Pierre, Cros, Christian, Pouchard, Michel

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 62 KB

english, 2004

19

Does Excess Energy Assist Photogeneration in an Organic Low-Bandgap Solar Cell?

Hahn, Tobias, Geiger, Johannes, Blase, Xavier, Duchemin, Ivan, Niedzialek, Dorota, Tscheuschner, Steffen, Beljonne, David, Bässler, Heinz, Köhler, Anna

Journal:

Advanced Functional Materials

Year:

2015

Language:

english

File:

PDF, 1.31 MB

english, 2015

20

LOW-DIMENSIONAL QUANTUM TRANSPORT PROPERTIES OF CHEMICALLY-DISORDERED CARBON NANOTUBES: FROM WEAK TO STRONG LOCALIZATION REGIMES

AVRILLER, REMI, ROCHE, STEPHAN, TRIOZON, FRANCOIS, BLASE, XAVIER, LATIL, SYLVAIN

Journal:

Modern Physics Letters B

Year:

2007

Language:

english

File:

PDF, 783 KB

english, 2007

21

Benchmarking the Bethe–Salpeter Formalism on a Standard Organic Molecular Set

Jacquemin, Denis, Duchemin, Ivan, Blase, Xavier

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.66 MB

english, 2015

22

Ab Initio Calculations of Open-Cell Voltage in Li-Ion Organic Radical Batteries

Dardenne, Nicolas, Blase, Xavier, Hautier, Geoffroy, Charlier, Jean-Christophe, Rignanese, Gian-Marco

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 790 KB

english, 2015

23

Assessment of the convergence of partially self-consistent BSE/ GW calculations

Jacquemin, Denis, Duchemin, Ivan, Blase, Xavier

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 787 KB

english, 2015

24

Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids

Li, Jing, D’Avino, Gabriele, Duchemin, Ivan, Beljonne, David, Blase, Xavier

Journal:

The Journal of Physical Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 1.11 MB

english, 2016

25

Assessment of the Accuracy of the Bethe–Salpeter (BSE/ GW ) Oscillator Strengths

Jacquemin, Denis, Duchemin, Ivan, Blondel, Aymeric, Blase, Xavier

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 875 KB

english, 2016

26

Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach

Duchemin, Ivan, Jacquemin, Denis, Blase, Xavier

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.97 MB

english, 2016

27

Bethe-Salpeter study of cationic dyes: Comparisons with ADC(2) and TD-DFT

Azarias, Cloé, Duchemin, Ivan, Blase, Xavier, Jacquemin, Denis

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 384 KB

english, 2017

28

Benchmark of Bethe-Salpeter for Triplet Excited-States

Jacquemin, Denis, Duchemin, Ivan, Blondel, Aymeric, Blase, Xavier

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 1.28 MB

english, 2017

29

Hybrid and Constrained Resolution-of-Identity Techniques for Coulomb Integrals

Duchemin, Ivan, Li, Jing, Blase, Xavier

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 862 KB

english, 2017

30

Modeling the Photochrome–TiO 2 Interface with Bethe–Salpeter and Time-Dependent Density Functional Theory Methods

Escudero, Daniel, Duchemin, Ivan, Blase, Xavier, Jacquemin, Denis

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 1.61 MB

english, 2017

31

GW and Bethe-Salpeter study of small water clusters

Blase, Xavier, Boulanger, Paul, Bruneval, Fabien, Fernandez-Serra, Marivi, Duchemin, Ivan

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 805 KB

english, 2016

32

Is the Bethe–Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD

Jacquemin, Denis, Duchemin, Ivan, Blase, Xavier

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 457 KB

english, 2017

33

and Bethe-Salpeter Many-Body Formalism

Li, Jing, Holzmann, Markus, Duchemin, Ivan, Blase, Xavier, Olevano, Valerio

Journal:

Physical Review Letters

Year:

2017

Language:

english

File:

PDF, 348 KB

english, 2017

34

Calculations of n → π ⋆ Transition Energies: Comparisons Between TD-DFT, ADC, CC, CASPT2 and BSE/ GW Descriptions

Azarias, Cloé, Habert, Chloé, Budzak, Simon, Blase, Xavier, Duchemin, Ivan, Jacquemin, Denis

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.48 MB

english, 2017

35

Tuning Optical Properties of Dibenzochrysenes by Functionalization: A Many-Body Perturbation Theory Study

Dardenne, Nicolas, Cardia, Roberto, Li, Jing, Malloci, Giuliano, Cappellini, Giancarlo, Blase, Xavier, Charlier, Jean-Christophe, Rignanese, Gian-Marco

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 3.26 MB

english, 2017

36

The Bethe-Salpeter Formalism with Polarisable Continuum Embedding: Reconciling Linear-Response and State-Specific Features

Duchemin, Ivan, Guido, Ciro Achille Achille, Jacquemin, Denis, Blase, Xavier

Journal:

Chemical Science

Year:

2018

Language:

english

File:

PDF, 1.90 MB

english, 2018

37

Size-dependent optical absorption of Cu2ZnSn(Se,S)4 quantum dot sensitizers from ab initio many-body methods

Körbel, Sabine, Boulanger, Paul, Blase, Xavier, Marques, Miguel A. L., Botti, Silvana

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Year:

2018

Language:

english

File:

PDF, 2.29 MB

english, 2018

38

Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA

Duchemin, Ivan, Blase, Xavier

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.57 MB

english, 2019

39

Outcome and patterns of relapse in childhood parameningeal rhabdomyosarcoma treated with proton beam therapy

Doyen, Jérôme, Jazmati, Danny, Geismar, Dirk, Frisch, Sabine, Schleithoff, Stefanie Schulze, Vermeren, Xavier, Scheer, Monika, Blase, , Christoph, Tippelt, Stephan, Timmermann, Beate

Journal:

International Journal of Radiation Oncology*Biology*Physics

Year:

2019

Language:

english

File:

PDF, 1.53 MB

english, 2019

40

In Reply to Gultekin and Yildiz

Doyen, Jérôme, Jazmati, Danny, Geismar, Dirk, Frisch, Sabine, Schulze Schleithoff, Stefanie, Vermeren, Xavier, Scheer, Monika, Blasé, Christoph, Tippelt, Stephan, Timmermann, Beate

Journal:

International Journal of Radiation Oncology*Biology*Physics

Year:

2019

Language:

english

File:

PDF, 118 KB

english, 2019

41

Robust analytic continuation approach to many-body GW calculations

Duchemin, Ivan, Blase, Xavier

Journal:

Journal of Chemical Theory and Computation

Year:

2020

File:

PDF, 1.60 MB

2020

42

Accurate prediction of the S 1 excitation energy in solvated azobenzene derivatives via embedded orbital-tuned Bethe-Salpeter calculations

Kshirsagar, Aseem Rajan, D'Avino, Gabriele, Blase, Xavier, Li, Jing, Poloni, Roberta

Journal:

Journal of Chemical Theory and Computation

Year:

2020

File:

PDF, 1.56 MB

2020

43

correlations in the electronic structure of

Olevano, Valerio, Bernardini, Fabio, Blase, Xavier, Cano, AndrÃ©s

Journal:

Physical Review B

Year:

2020

File:

PDF, 849 KB

2020

44

Pros and Cons of the BetheâSalpeter Formalism for Ground-State Energies

Loos, Pierre-FranÃ§ois, Scemama, Anthony, Duchemin, Ivan, Jacquemin, Denis, Blase, Xavier

Journal:

The Journal of Physical Chemistry Letters

Year:

2020

File:

PDF, 1.29 MB

2020

45

Infinite-layer fluoro-nickelates as d9 model materials

Bernardini, Fabio, Olevano, Valerio, Blase, Xavier, Cano, Andres

Journal:

Journal of Physics: Materials

Year:

2020

File:

PDF, 1.99 MB

2020

46

Response rates in metastatic neuroendocrine tumors receiving peptide receptor radionuclide therapy and implications for future treatment strategies

Vaghaiwalla, Tanaz, Ruhle, Brian, Memeh, Kelvin, Angelos, Peter, Kaplan, Edwin, Liao, Chih-Yi, Polite, Blase, Keutgen, Xavier

Journal:

Year:

2020

File:

PDF, 433 KB

2020

47

The Bethe-Salpeter Equation Formalism: From Physics to Chemistry

Blase, Xavier, Duchemin, Ivan, Jacquemin, Denis, Loos, Pierre-Francois

Journal:

The Journal of Physical Chemistry Letters

Year:

2020

File:

PDF, 4.11 MB

2020

48

Dynamical correction to the BetheâSalpeter equation beyond the plasmon-pole approximation

Loos, Pierre-FranÃ§ois, Blase, Xavier

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.40 MB

2020

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