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1

Density functional theory for superconductors

N. N. Lathiotakis, M. A. L. Marques, M. Lüders, L. Fast, E. K. U. Gross

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 128 KB

english, 2004

2

Electron transfer through organic molecular wires: A theoretical study

Lathiotakis, Nektarios N., Theodorakopoulos, Giannoula, Petsalakis, Ioannis D.

Journal:

Chemical Physics Letters

Year:

2017

Language:

english

File:

PDF, 1.00 MB

english, 2017

3

In-plane force fields and elastic properties of graphene

Kalosakas, G., Lathiotakis, N. N., Galiotis, C., Papagelis, K.

Journal:

Journal of Applied Physics

Year:

2013

Language:

english

File:

PDF, 1.06 MB

english, 2013

4

Tight-binding molecular-dynamics study of transition-metal clusters

Menon, Madhu, Connolly, John, Lathiotakis, Nectarios, Andriotis, Antonis

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 416 KB

english, 1994

5

Graphene allotropes under extreme uniaxial strain: an ab initio theoretical study

Fthenakis, Zacharias G., Lathiotakis, Nektarios N.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.33 MB

english, 2015

6

Tailoring the spacer type and length in push–pull chromophores. Insights from a systematic theoretical study

Kerkines, Ioannis S.K., Lathiotakis, Nektarios N., Theodorakopoulos, Giannoula, Petsalakis, Ioannis D.

Journal:

Chemical Physics Letters

Year:

2016

Language:

english

File:

PDF, 1.47 MB

english, 2016

7

Performance of the constrained minimization of the total energy in density functional approximations: the electron repulsion density and potential

Pitts, Tom, Gidopoulos, Nikitas I., Lathiotakis, Nektarios N.

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Year:

2018

Language:

english

File:

PDF, 695 KB

english, 2018

8

ChemInform Abstract: Optical and Magnetic Properties of Boron Fullerenes

Silvana Botti, Alberto Castro, Nektarios N. Lathiotakis, Xavier Andrade, Miguel A. L. Marques

Journal:

Year:

2009

File:

PDF, 11 KB

2009

9

Magnetic properties of Ni and Fe clusters: a tight binding molecular dynamics study

Antonis N. Andriotis, Nectarios Lathiotakis, Madhu Menon

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 445 KB

english, 1996

10

The applicability of scaling laws in tight-binding molecular-dynamics

N. Lathiotakis, A.N. Andriotis

Journal:

Solid State Communications

Year:

1993

Language:

english

File:

PDF, 395 KB

english, 1993

11

Emitting and electron-transfer electronic states of tertiary amine–fluorophore sensor systems

Ioannis D. Petsalakis, Ioannis S.K. Kerkines, Nektarios N. Lathiotakis, Giannoula Theodorakopoulos

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 510 KB

english, 2009

12

Superconducting properties of MgB2 from first principles

A. Floris, A. Sanna, M. Lüders, G. Profeta, N.N. Lathiotakis, M.A.L. Marques, C. Franchini, E.K.U. Gross, A. Continenza, S. Massidda

Journal:

Physica C: Superconductivity

Year:

2007

Language:

english

File:

PDF, 1.36 MB

english, 2007

13

Theoretical study on tertiary amine-fluorophore photoinduced electron transfer (PET) systems

Ioannis D. Petsalakis, Nektarios N. Lathiotakis, Giannoula Theodorakopoulos

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 1.18 MB

english, 2008

14

Correlation measures as benchmarks in reduced density matrix functional theory

N. N. Lathiotakis

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 171 KB

english, 2012

15

Ab-initioComputation of Superconducting Properties of Elemental Superconductors and MgB2

A. Continenza, G. Profeta, A. Floris, C. Franchini, S. Massidda, N. N. Lathiotakis, M. A. L. Marques, M. Lüders, E. K. U. Gross

Journal:

Journal of Superconductivity and Novel Magnetism

Year:

2005

Language:

english

File:

PDF, 138 KB

english, 2005

16

Periods and damping of the oscillatory exchange coupling across Cu(1−x)Nix alloy spacers

N.N. Lathiotakis, B.L. Györffy, J.B. Staunton, B. Újfalussy

Journal:

Journal of Magnetism and Magnetic Materials

Year:

1998

Language:

english

File:

PDF, 201 KB

english, 1998

17

The dilemma of the rigid band model arising from measurements of the oscillatory exchange coupling across Cr(1−x)Mox alloy spacers

N.N Lathiotakis, B.L Györffy, B Ginatempo, E Bruno

Journal:

Journal of Magnetism and Magnetic Materials

Year:

1999

Language:

english

File:

PDF, 93 KB

english, 1999

18

Discontinuity of the chemical potential in reduced-density-matrix-functional theory

Helbig, N, Lathiotakis, N. N, Albrecht, M, Gross, E. K. U

Journal:

EPL (Europhysics Letters)

Year:

2007

Language:

english

File:

PDF, 176 KB

english, 2007

19

The reconstruction of the Si(110) surface and its interaction with Si adatoms

Menon, Madhu, Lathiotakis, Nectarios, Andriotis, Antonis

Journal:

Physical Review B

Year:

1997

Language:

english

File:

PDF, 84 KB

english, 1997

20

Density-matrix-power functional: Performance for finite systems and the homogeneous electron gas

Lathiotakis, N. N., Sharma, S., Dewhurst, J. K., Eich, F. G., Marques, M. A. L., Gross, E. K. U.

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 139 KB

english, 2009

21

Tight binding molecular dynamics study of Ni clusters

Lathiotakis, N. N., Andriotis, A. N., Menon, M., Connolly, J.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 548 KB

english, 1996

22

Codoping: A possible pathway for inducing ferromagnetism in ZnO

Lathiotakis, N. N., Andriotis, Antonis N., Menon, Madhu

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 296 KB

english, 2008

23

Constraining density functional approximations to yield self-interaction free potentials

Gidopoulos, Nikitas I., Lathiotakis, Nektarios N.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 467 KB

english, 2012

24

Reduced density matrix functional for many-electron systems

Sharma, S., Dewhurst, J. K., Lathiotakis, N. N., Gross, E. K. U.

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 111 KB

english, 2008

25

Ab initio prediction of pressure-induced superconductivity in potassium

Sanna, A., Franchini, C., Floris, A., Profeta, G., Lathiotakis, N. N., Lüders, M., Marques, M. A. L., Gross, E. K. U., Continenza, A., Massidda, S.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 504 KB

english, 2006

26

Ab initio theory of superconductivity. I. Density functional formalism and approximate functionals

Lüders, M., Marques, M. A. L., Lathiotakis, N. N., Floris, A., Profeta, G., Fast, L., Continenza, A., Massidda, S., Gross, E. K. U.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 212 KB

english, 2005

27

Ab initio theory of superconductivity. II. Application to elemental metals

Marques, M. A. L., Lüders, M., Lathiotakis, N. N., Profeta, G., Floris, A., Fast, L., Continenza, A., Gross, E. K. U., Massidda, S.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 1.03 MB

english, 2005

28

Ionization potentials and electron affinities from reduced-density-matrix functional theory

Zarkadoula, E. N., Sharma, S., Dewhurst, J. K., Gross, E. K. U., Lathiotakis, N. N.

Journal:

Physical Review A

Year:

2012

Language:

english

File:

PDF, 211 KB

english, 2012

29

Optical and magnetic properties of boron fullerenes

Botti, Silvana, Castro, Alberto, Lathiotakis, Nektarios N., Andrade, Xavier, Marques, Miguel A. L.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.06 MB

english, 2009

30

Theoretical study on the electronic structure of triphenyl sulfonium salts: Electronic excitation and electron transfer processes

Petsalakis, Ioannis D., Theodorakopoulos, Giannoula, Lathiotakis, Nektarios N., Georgiadou, Dimitra G., Vasilopoulou, Maria, Argitis, Panagiotis

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 1.57 MB

english, 2014

31

Alloy Spacers

Lathiotakis, N. N., Györffy, B. L., Bruno, E., Ginatempo, B., Parkin, S. S. P.

Journal:

Physical Review Letters

Year:

1999

Language:

english

File:

PDF, 676 KB

english, 1999

32

Nonanalyticity of the optimized effective potential with finite basis sets

Gidopoulos, Nikitas I., Lathiotakis, Nektarios N.

Journal:

Physical Review A

Year:

2012

Language:

english

File:

PDF, 569 KB

english, 2012

33

Superconductivity in Lithium, Potassium, and Aluminum under Extreme Pressure: A First-Principles Study

Profeta, G., Franchini, C., Lathiotakis, N. N., Floris, A., Sanna, A., Marques, M. A. L., Lüders, M., Massidda, S., Gross, E. K. U., Continenza, A.

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 369 KB

english, 2006

34

from First Principles

Floris, A., Profeta, G., Lathiotakis, N. N., Lüders, M., Marques, M. A. L., Franchini, C., Gross, E. K. U., Continenza, A., Massidda, S.

Journal:

Physical Review Letters

Year:

2005

Language:

english

File:

PDF, 917 KB

english, 2005

35

Performance of one-body reduced density-matrix functionals for the homogeneous electron gas

Lathiotakis, N. N., Helbig, N., Gross, E. K. U.

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 577 KB

english, 2007

36

spacers: A first-principles calculation of the amplitudes and phases using asymptotic analysis

Lathiotakis, N. N., Györffy, B. L., Bruno, E., Ginatempo, B.

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 214 KB

english, 2000

37

Empirical functionals for reduced-density-matrix-functional theory

Marques, Miguel A. L., Lathiotakis, N. N.

Journal:

Physical Review A

Year:

2008

Language:

english

File:

PDF, 96 KB

english, 2008

38

Reply to “Comment on ‘Nonanalyticity of the optimized effective potential with finite basis sets’ ”

Gidopoulos, Nikitas I., Lathiotakis, Nektarios N.

Journal:

Physical Review A

Year:

2013

Language:

english

File:

PDF, 106 KB

english, 2013

39

of (100), (110), and (111) orientations

Lathiotakis, N. N., Györffy, B. L., Újfalussy, B.

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 218 KB

english, 2000

40

Discontinuity of the chemical potential in reduced-density-matrix-functional theory for open-shell systems

Helbig, N., Lathiotakis, N. N., Gross, E. K. U.

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 506 KB

english, 2009

41

Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations

Lathiotakis, Nektarios N., Helbig, Nicole, Rubio, Angel, Gidopoulos, Nikitas I.

Journal:

Physical Review A

Year:

2014

Language:

english

File:

PDF, 491 KB

english, 2014

42

Open shells in reduced-density-matrix-functional theory

Lathiotakis, N. N., Helbig, N., Gross, E. K. U.

Journal:

Physical Review A

Year:

2005

Language:

english

File:

PDF, 69 KB

english, 2005

43

A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systems

Lathiotakis, N. N., Helbig, N., Zacarias, A., Gross, E. K. U.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 340 KB

english, 2009

44

Quasi-particle energy spectra in local reduced density matrix functional theory

Lathiotakis, Nektarios N., Helbig, Nicole, Rubio, Angel, Gidopoulos, Nikitas I.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 992 KB

english, 2014

45

Structure and Stability of Ni Clusters: A Tight-Binding Molecular-Dynamics Study

Lathiotakis, N. N, Andriotis, A. N, Menon, M, Connolly, J

Journal:

EPL (Europhysics Letters)

Year:

1995

Language:

english

File:

PDF, 471 KB

english, 1995

46

Asymptotic behaviour of the oscillatory exchange coupling across alloy spacers: a first-principles approach

Ujfalussy, N. N. Lathiotakis, B. L., B.

Journal:

Philosophical Magazine B

Year:

1998

Language:

english

File:

PDF, 214 KB

english, 1998

47

Benchmark calculations for reduced density-matrix functional theory

Lathiotakis, N. N., Marques, Miguel A. L.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 260 KB

english, 2008

48

Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theory

Lathiotakis, N. N., Gidopoulos, N. I., Helbig, N.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 152 KB

english, 2010

49

Generalized Pauli constraints in reduced density matrix functional theory

Theophilou, Iris, Lathiotakis, Nektarios N., Marques, Miguel A. L., Helbig, Nicole

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 375 KB

english, 2015

50

Fractional spin in reduced density-matrix functional theory

Helbig, N., Theodorakopoulos, G., Lathiotakis, N. N.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 654 KB

english, 2011

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