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Articles (36)
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1

Pauli potential and Pauli charge from experimental electron density

Tsirelson, Vladimir G., Stash, Adam I., Karasiev, Valentin V., Liu, Shubin

Journal:

Computational and Theoretical Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 841 KB

english, 2013

2

interfaces: Stress and strain on the atomic scale

Korkin, Anatoli, Greer, J. C., Bersuker, Gennadi, Karasiev, Valentin V., Bartlett, Rodney J.

Journal:

Physical Review B

Année:

2006

Langue:

english

Fichier:

PDF, 457 KB

english, 2006

3

Elucidating the role of non-radiative processes in charge transfer of core–shell Si–SiO 2 nanoparticles

Mottishaw, Jeffery D., Kilin, Dmitri, Cheng, Hai-Ping, Karasiev, Valentin V., Fan, Qi Hua, Sun, Haoran

Journal:

Molecular Physics

Année:

2014

Langue:

english

Fichier:

PDF, 604 KB

english, 2014

4

Generalized-gradient-approximation noninteracting free-energy functionals for orbital-free density functional calculations

Karasiev, Valentin V., Sjostrom, Travis, Trickey, S. B.

Journal:

Physical Review B

Année:

2012

Langue:

english

Fichier:

PDF, 725 KB

english, 2012

5

Importance of finite-temperature exchange correlation for warm dense matter calculations

Karasiev, Valentin V., Calderín, Lázaro, Trickey, S. B.

Journal:

Physical Review E

Année:

2016

Langue:

english

Fichier:

PDF, 1.11 MB

english, 2016

6

Polynomial and Padé Representations for the Kinetic Component Tc[ρ] of the Correlation Energy Density Functional

Shubin Liu, Valentin Karasiev, Roberto López-Boada, Frank De Proft

Journal:

International Journal of Quantum Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 175 KB

english, 1998

7

High-efficiency stimulated Raman scattering from alcohols: theory and experiments

Lorenzo Echevarría, Luis Rodríguez, Valentin Karasiev, Vincent Piscitelli, O. Arístides Marcano

Journal:

Journal of Raman Spectroscopy

Année:

2005

Langue:

english

Fichier:

PDF, 157 KB

english, 2005

8

Padé approximation for the polynomial representation of the correlation energy density functional

Roberto López-Boada, Valentin Karasiev, Shubin Liu

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 585 KB

english, 1997

9

Functional sets in quantum chemistry as fundamental elements of parametric methods

Fernando Ruette, Stefani A.M. Marcantognini, Valentin V. Karasiev

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2003

Langue:

english

Fichier:

PDF, 121 KB

english, 2003

10

Realizations of the noninteracting kinetic energy functional enhancement factor through local-scaling transformations: Atoms

Eduardo V. Ludeña, Valentin V. Karasiev, Lorenzo Echevarría

Journal:

International Journal of Quantum Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 147 KB

english, 2003

11

Exact analytic total energy functional for Hooke's atom generated by local-scaling transformations

Eduardo V. Ludeña, Daniel Gómez, Valentin Karasiev, Pedro Nieto

Journal:

International Journal of Quantum Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 144 KB

english, 2004

12

Improvements of parametric quantum methods with new elementary parametric functionals

Fernando Ruette, Stefania A. M. Marcantognini, Valentin V. Karasiev, Morella Sánchez

Journal:

International Journal of Quantum Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 134 KB

english, 2008

13

Exact and approximate forms of the kinetic energy functionalTs[ρ] for molecules obtained via local-scaling transformations

Eduardo V. Ludeña, Valentin V. Karasiev, Pedro Nieto

Journal:

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

Année:

2003

Langue:

english

Fichier:

PDF, 299 KB

english, 2003

14

Application of Exact Analytic Total Energy Functional for Hooke’s Atom to He, Li+and Be++: An Examination of the Universality of the Energy Functional in DFT

Daniel Gómez, Eduardo V. Ludeña, Valentin Karasiev, Pedro Nieto

Journal:

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

Année:

2006

Langue:

english

Fichier:

PDF, 165 KB

english, 2006

15

Parity Nonconserving (PNC) Electroweak Radiative Corrections for Highly Charged Ions (HCI)

Ilya Bednyakov, Leonti Labzowsky, Günter Plunien, Gerhard Soff, Valentin Karasiev

Journal:

Hyperfine Interactions

Année:

2001

Langue:

english

Fichier:

PDF, 51 KB

english, 2001

16

The Standard Model in strong fields: electroweak radiative corrections for highly charged ions

Ilya Bednyakov, Leonti Labzowsky, Gerhard Soff, Günter Plunnien, Valentin Karasiev

Journal:

Hyperfine Interactions

Année:

2000

Langue:

english

Fichier:

PDF, 50 KB

english, 2000

17

A DFT variational approach to Hooke's atom based on local-scaling transformations

Anton Artemyev, Eduardo V. Ludeña, Valentin Karasiev

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2002

Langue:

english

Fichier:

PDF, 178 KB

english, 2002

18

Comparison of density functional approximations and the finite-temperature Hartree-Fock approximation in warm dense lithium

Karasiev, Valentin V., Sjostrom, Travis, Trickey, S. B.

Journal:

Physical Review E

Année:

2012

Langue:

english

Fichier:

PDF, 724 KB

english, 2012

19

Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess and Quantum Espresso

Karasiev, Valentin V., Sjostrom, Travis, Trickey, S.B.

Journal:

Computer Physics Communications

Année:

2014

Langue:

english

Fichier:

PDF, 529 KB

english, 2014

20

Nonempirical generalized gradient approximation free-energy functional for orbital-free simulations

Karasiev, Valentin V., Chakraborty, Debajit, Shukruto, Olga A., Trickey, S. B.

Journal:

Physical Review B

Année:

2013

Langue:

english

Fichier:

PDF, 421 KB

english, 2013

21

Asymptotically adjusted self-consistent multiplicative parameter exchange-energy-functional method: Application to diatomic molecules

Karasiev, Valentin V., Ludeña, Eduardo V.

Journal:

Physical Review A

Année:

2002

Langue:

english

Fichier:

PDF, 96 KB

english, 2002

22

Accurate Homogeneous Electron Gas Exchange-Correlation Free Energy for Local Spin-Density Calculations

Karasiev, Valentin V., Sjostrom, Travis, Dufty, James, Trickey, S. B.

Journal:

Physical Review Letters

Année:

2014

Langue:

english

Fichier:

PDF, 300 KB

english, 2014

23

Self-consistent multiplicative constant method for the exchange energy in density-functional theory

Karasiev, Valentin V., Ludeña, Eduardo V.

Journal:

Physical Review A

Année:

2002

Langue:

english

Fichier:

PDF, 116 KB

english, 2002

24

Relativistic Dirac-Fock exchange and Breit interaction energy functionals based on the local-density approximation and the self-consistent multiplicative constant method

Karasiev, Valentin V., Ludeña, Eduardo V., Shukruto, Olga A.

Journal:

Physical Review A

Année:

2004

Langue:

english

Fichier:

PDF, 95 KB

english, 2004

25

Local “hybrid” functionals based on exact-expression approximate exchange

Karasiev, Valentin V.

Journal:

The Journal of Chemical Physics

Année:

2003

Langue:

english

Fichier:

PDF, 313 KB

english, 2003

26

Standard model in strong fields: Electroweak radiative corrections for highly charged ions

Bednyakov, Ilya, Labzowsky, Leonti, Plunien, Günter, Soff, Gerhard, Karasiev, Valentin

Journal:

Physical Review A

Année:

1999

Langue:

english

Fichier:

PDF, 128 KB

english, 1999

27

KINETIC ENERGY FUNCTIONALS: EXACT ONES FROM ANALYTIC MODEL WAVE FUNCTIONS AND APPROXIMATE ONES IN ORBITAL-FREE MOLECULAR DYNAMICS

KARASIEV, VALENTIN V., LOPEZ, XABIER, UGALDE, JESUS M., LUDEÑA, EDUARDO V.

Journal:

International Journal of Modern Physics B

Année:

2010

Langue:

english

Fichier:

PDF, 245 KB

english, 2010

28

Improved analytical representation of combinations of Fermi–Dirac integrals for finite-temperature density functional calculations

Karasiev, Valentin V., Chakraborty, Debajit, Trickey, S.B.

Journal:

Computer Physics Communications

Année:

2015

Langue:

english

Fichier:

PDF, 676 KB

english, 2015

29

[Advances in Quantum Chemistry] || Frank Discussion of the Status of Ground-State Orbital-Free DFT

Karasiev, Valentin V.

Année:

2015

Langue:

english

Fichier:

PDF, 595 KB

english, 2015

30

Study of some simple approximations to the non-interacting kinetic energy functional

Salazar, Edison X., Guarderas, Pedro F., Ludeña, Eduardo V., Cornejo, Mauricio H., Karasiev, Valentin V.

Journal:

International Journal of Quantum Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 724 KB

english, 2016

31

Comment on “Single-point kinetic energy density functionals: A pointwise kinetic energy density analysis and numerical convergence investigation”

Trickey, S. B., Karasiev, Valentin V., Chakraborty, Debajit

Journal:

Physical Review B

Année:

2015

Langue:

english

Fichier:

PDF, 105 KB

english, 2015

32

Comment on “Communication: Simple and accurate uniform electron gas correlation energy for the full range of densities” [J. Chem. Phys. 145 , 021101 (2016)]

Karasiev, Valentin V.

Journal:

The Journal of Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 159 KB

english, 2016

33

The Liu-Parr power series expansion of the Pauli kinetic energy functional with the incorporation of shell-inducing traits: Atoms

Ludeña, Eduardo V., Salazar, Edison X., Cornejo, Mauricio H., Arroyo, Darío E., Karasiev, Valentin V.

Journal:

International Journal of Quantum Chemistry

Année:

2018

Langue:

english

Fichier:

PDF, 1.27 MB

english, 2018

34

Nonempirical Semilocal Free-Energy Density Functional for Matter under Extreme Conditions

Karasiev, Valentin V., Dufty, James W., Trickey, S. B.

Journal:

Physical Review Letters

Année:

2018

Langue:

english

Fichier:

PDF, 406 KB

english, 2018

35

A simple generalized gradient approximation for the noninteracting kinetic energy density functional

Luo, Kai, Karasiev, Valentin V., Trickey, S. B.

Journal:

Physical Review B

Année:

2018

Langue:

english

Fichier:

PDF, 327 KB

english, 2018

36

Status of free-energy representations for the homogeneous electron gas

Karasiev, Valentin V., Trickey, S. B., Dufty, James W.

Journal:

Physical Review B

Année:

2019

Langue:

english

Fichier:

PDF, 755 KB

english, 2019