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1

Gradient-dependent upper bound for the exchange-correlation energy and application to density functional theory

Constantin, Lucian A., Terentjevs, Aleksandrs, Della Sala, Fabio, Fabiano, Eduardo

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 196 KB

english, 2015

2

Theoretical investigation of molecular excited states in polar organic monolayers via an efficient embedding approach

Aleksandrs Terentjevs, Eduardo Fabiano, Fabio Della Sala

Journal:

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

Year:

2012

Language:

english

File:

PDF, 488 KB

english, 2012

3

Interfacial Electronic Structure of the Dipolar Vanadyl Naphthalocyanine on Au(111): “Push-Back” vs Dipolar Effects

Terentjevs, Aleksandrs, Steele, Mary P., Blumenfeld, Michael L., Ilyas, Nahid, Kelly, Leah L., Fabiano, Eduardo, Monti, Oliver L.A., Della Sala, Fabio

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 5.39 MB

english, 2011

4

Optical spectra of solids obtained by time-dependent density functional theory with the jellium-with-gap-model exchange-correlation kernel

Trevisanutto, Paolo E., Terentjevs, Aleksandrs, Constantin, Lucian A., Olevano, Valerio, Sala, Fabio Della

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 298 KB

english, 2013

5

Generalized Gradient Approximation Correlation Energy Functionals Based on the Uniform Electron Gas with Gap Model

Fabiano, Eduardo, Trevisanutto, Paolo E., Terentjevs, Aleksandrs, Constantin, Lucian A.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 1.23 MB

english, 2014

6

First principles optical spectra of the β -SiC(0 0 1)/Al interface

Terentjevs, Aleksandrs, Trevisanutto, Paolo E, Constantin, Lucian A, Sala, Fabio Della

Journal:

Journal of Physics Condensed Matter

Year:

2014

Language:

english

File:

PDF, 418 KB

english, 2014

7

orbitals

Gogoi, Pranjal Kumar, Trevisanutto, Paolo E., Yang, Ming, Santoso, Iman, Asmara, Teguh Citra, Terentjevs, Aleksandrs, Della Sala, Fabio, Breese, Mark B. H., Venkatesan, T., Feng, Yuan Ping, Loh, Kian

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 6.28 MB

english, 2015

8

Semiclassical atom theory applied to solid-state physics

Constantin, Lucian A., Terentjevs, Aleksandrs, Della Sala, Fabio, Cortona, Pietro, Fabiano, Eduardo

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 680 KB

english, 2016

9

Electrostatic Mechanophores in Tuneable Light-Emitting Piezopolymer Nanowires

Persano, Luana, Camposeo, Andrea, Terentjevs, Aleksandr V., Della Sala, Fabio, Fabiano, Eduardo, Montinaro, Martina, Pisignano, Dario

Journal:

Advanced Materials

Year:

2017

Language:

english

File:

PDF, 1.86 MB

english, 2017

10

Solid-State Testing of a Van-Der-Waals-Corrected Exchange-Correlation Functional Based on the Semiclassical Atom Theory

Terentjev, Aleksandr, Cortona, Pietro, Constantin, Lucian, Pitarke, José, Della Sala, Fabio, Fabiano, Eduardo

Journal:

Year:

2018

Language:

english

File:

PDF, 1.26 MB

english, 2018

11

Gradient-dependent exchange-correlation kernel for materials optical properties

Terentjev, Aleksandr V., Constantin, Lucian A., Pitarke, J. M.

Journal:

Physical Review B

Year:

2018

File:

PDF, 3.09 MB

2018

12

Gradient-dependent exchange-correlation kernel for materials optical properties

Terentjev, Aleksandr V., Constantin, Lucian A., Pitarke, J. M.

Journal:

Physical Review B

Year:

2018

Language:

english

File:

PDF, 3.09 MB

english, 2018

13

Dispersion-corrected PBEsol exchange-correlation functional

Terentjev, Aleksandr V., Constantin, Lucian A., Pitarke, J. M.

Journal:

Physical Review B

Year:

2018

Language:

english

File:

PDF, 486 KB

english, 2018

14

Comparison of dispersion-corrected exchange-correlation functionals using atomic orbitals

Terentjev, Aleksandr V., Constantin, Lucian A., Artacho, Emilio, Pitarke, J. M.

Journal:

Physical Review B

Year:

2019

File:

PDF, 556 KB

2019

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