Mussard, Bastien: search on Z-Library

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1

Gaussian continuum basis functions for calculating high-harmonic generation spectra

Coccia, Emanuele, Mussard, Bastien, Labeye, Marie, Caillat, Jérémie, Taïeb, Richard, Toulouse, Julien, Luppi, Eleonora

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 1.23 MB

english, 2016

2

Self-consistent range-separated density-functional theory with second-order perturbative correction via the optimized-effective-potential method

Śmiga, Szymon, Grabowski, Ireneusz, Witkowski, Mateusz, Mussard, Bastien, Toulouse, Julien

Journal:

Journal of Chemical Theory and Computation

Year:

2019

File:

PDF, 707 KB

2019

3

[Advances in Quantum Chemistry] Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems Volume 76 || Time-Dependent Linear-Response Variational Monte Carlo

Mussard, Bastien

Year:

2018

Language:

english

File:

PDF, 274 KB

english, 2018

4

Relationships between charge density response functions, exchange holes and localized orbitals

Mussard, Bastien, Ángyán, János G.

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 812 KB

english, 2015

5

Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional

Campañá, Carlos, Mussard, Bastien, Woo, Tom K.

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 1.17 MB

english, 2009

6

One-step treatment of spin-orbit coupling and electron correlation in large active spaces

Mussard, Bastien, Sharma, Sandeep

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 1.17 MB

english, 2017

7

Range-separated double-hybrid density-functional theory with coupled-cluster and random-phase approximations

Kalai, Cairedine, Mussard, Bastien, Toulouse, Julien

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.45 MB

english, 2019

8

Cheap and near exact CASSCF with large active spaces

Smith, James E.T., Mussard, Bastien, Holmes, Adam A., Sharma, Sandeep

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 446 KB

english, 2017

9

Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights

Mussard, Bastien, Reinhardt, Peter, Ángyán, János G., Toulouse, Julien

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 578 KB

english, 2015

10

Erratum: “Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights” [J. Chem. Phys. 142, 154123 (2015)]

Mussard, Bastien, Reinhardt, Peter, Ángyán, János G., Toulouse, Julien

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 559 KB

english, 2015

11

Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians

Williams, Kiel T., Yao, Yuan, Li, Jia, Chen, Li, Shi, Hao, Motta, Mario, Niu, Chunyao, Ray, Ushnish, Guo, Sheng, Anderson, Robert J., Li, Junhao, Tran, Lan Nguyen, Yeh, Chia-Nan, Mussard, Bastien, Sha

Journal:

Physical Review X

Year:

2020

Language:

english

File:

PDF, 639 KB

english, 2020

12

Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method

Śmiga, Szymon, Franck, Odile, Mussard, Bastien, Buksztel, Adam, Grabowski, Ireneusz, Luppi, Eleonora, Toulouse, Julien

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.33 MB

english, 2016

13

Random phase approximation in projected oscillator orbitals

Mussard, Bastien

Journal:

Theoretica Chimica Acta

Year:

2018

Language:

english

File:

PDF, 1.33 MB

english, 2018

14

Dielectric matrix formulation of correlation energies in the Random Phase Approximation (RPA): inclusion of exchange effects

Mussard, Bastien, Rocca, Dario, Jansen, Georg, Angyan, Janos G.

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 396 KB

english, 2016

15

Local random phase approximation with projected oscillator orbitals

Mussard, Bastien, Ángyán, János G.

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2015

Language:

english

File:

PDF, 1.41 MB

english, 2015

16

Identification of Judicial Outcomes in Judgments: A Generalized Gini-PLS Approach

Tagny-NgompÃ©, Gildas, Mussard, StÃ©phane, Zambrano, Guillaume, Harispe, SÃ©bastien, Montmain, Jacky

Journal:

Year:

2020

File:

PDF, 454 KB

2020

17

Basis convergence of range-separated density-functional theory

Franck, Odile, Mussard, Bastien, Luppi, Eleonora, Toulouse, Julien

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 603 KB

english, 2015

18

Fractional-charge and fractional-spin errors in range-separated density-functional theory

Mussard, Bastien, Toulouse, Julien

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 983 KB

english, 2016

19

Analytical Energy Gradients in Range-Separated Hybrid Density Functional Theory with Random Phase Approximation

Mussard, Bastien, Szalay, Péter G., Ángyán, János G.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 1.06 MB

english, 2014

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