Loos, Pierre-François: search on Z-Library

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1

The uniform electron gas

Loos, Pierre-François, Gill, Peter M. W.

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2016

Language:

english

File:

PDF, 624 KB

english, 2016

2

Distribution of r 12 · p 12 in quantum systems

Bernard, Yves A., Loos, Pierre-François, Gill, Peter M.W.

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 969 KB

english, 2013

3

Harmonically trapped jellium

Loos, Pierre-François, Gill, Peter M.W.

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 397 KB

english, 2012

4

Excited-state Wigner crystals

Rogers, Fergus J. M., Loos, Pierre-François

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.02 MB

english, 2017

5

Ground state of two electrons on concentric spheres

Loos, Pierre-François, Gill, Peter M. W.

Journal:

Physical Review A

Year:

2010

Language:

english

File:

PDF, 540 KB

english, 2010

6

Self-Consistent Strictly Localized Orbitals

Loos, Pierre-François, Assfeld, Xavier

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 63 KB

english, 2007

7

Many-electron integrals over gaussian basis functions. I. Recurrence relations for three-electron integrals

Barca, Giuseppe M. J., Loos, Pierre-Francois, Gill, Peter M.W.

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 404 KB

english, 2016

8

Three- and four-electron integrals involving Gaussian geminals: Fundamental integrals, upper bounds, and recurrence relations

Barca, Giuseppe M. J., Loos, Pierre-François

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 598 KB

english, 2017

9

Exact Wave Functions of Two-Electron Quantum Rings

Loos, Pierre-François, Gill, Peter

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 418 KB

english, 2012

10

Correlation energy of anisotropic quantum dots

Zhao, Yan, Loos, Pierre-François, Gill, Peter M. W.

Journal:

Physical Review A

Year:

2011

Language:

english

File:

PDF, 361 KB

english, 2011

11

Chemistry in one dimension

Loos, Pierre-François, Ball, Caleb J., Gill, Peter M. W.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.13 MB

english, 2015

12

Selected configuration interaction dressed by perturbation

Garniron, Yann, Scemama, Anthony, Giner, Emmanuel, Caffarel, Michel, Loos, Pierre-François

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 381 KB

english, 2018

13

A tale of two electrons: Correlation at high density

Pierre-François Loos, Peter M.W. Gill

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 332 KB

english, 2010

14

Nodal surfaces and interdimensional degeneracies

Loos, Pierre-François, Bressanini, Dario

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.27 MB

english, 2015

15

Exchange functionals based on finite uniform electron gases

Loos, Pierre-François

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 527 KB

english, 2017

16

Deterministic construction of nodal surfaces within quantum Monte Carlo: the case of FeS

Scemama, Anthony, Garniron, Yann, Caffarel, Michel, Loos, Pierre-Francois

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 496 KB

english, 2018

17

Evaluating 0‐0 Energies with Theoretical Tools: a Short Review

Loos, Pierre-Francois, Jacquemin, Denis

Journal:

Year:

2019

Language:

english

File:

PDF, 4.46 MB

english, 2019

18

A Mountaineering Strategy to Excited States: Highly-Accurate Reference Energies and Benchmarks

Loos, Pierre-Francois, Scemama, Anthony, Blondel, Aymeric, Garniron, Yann, Caffarel, Michel, Jacquemin, Denis

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 1.03 MB

english, 2018

19

Reference Energies for Double Excitations

Loos, Pierre-Francois, Boggio-Pasqua, Martial, Scemama, Anthony, Caffarel, Michel, Jacquemin, Denis

Journal:

Journal of Chemical Theory and Computation

Year:

2019

Language:

english

File:

PDF, 1.48 MB

english, 2019

20

Chemically Accurate 0-0 Energies with not-so-Accurate Excited State Geometries

Loos, Pierre-Francois, Jacquemin, Denis

Journal:

Journal of Chemical Theory and Computation

Year:

2019

File:

PDF, 1.10 MB

2019

21

A theoretical study of Ru(II) polypyridyl DNA intercalators: Structure and electronic absorption spectroscopy of [Ru(phen)2(dppz)]2+ and [Ru(tap)2(dppz)]2+ complexes intercalated in guanine–cytosine base pairs

David Ambrosek, Pierre-François Loos, Xavier Assfeld, Chantal Daniel

Journal:

Journal of Inorganic Biochemistry

Year:

2010

Language:

english

File:

PDF, 524 KB

english, 2010

22

Exact energy of the spin-polarized two-dimensional electron gas at high density

Loos, Pierre-François, Gill, Peter M. W.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 109 KB

english, 2011

23

Invariance of the Correlation Energy at High Density and Large Dimension in Two-Electron Systems

Loos, Pierre-François, Gill, Peter M. W.

Journal:

Physical Review Letters

Year:

2010

Language:

english

File:

PDF, 146 KB

english, 2010

24

Is ADC(3) as Accurate as CC3 for Valence and Rydberg Transition Energies?

Loos, Pierre-François, Jacquemin, Denis

Journal:

The Journal of Physical Chemistry Letters

Year:

2020

Language:

english

File:

PDF, 2.08 MB

english, 2020

25

Hooke’s law correlation in two-electron systems

Loos, Pierre-François

Journal:

Physical Review A

Year:

2010

Language:

english

File:

PDF, 273 KB

english, 2010

26

Ground state of two electrons on a sphere

Loos, Pierre-François, Gill, Peter M. W.

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 164 KB

english, 2009

27

Theoretical Investigation of the Geometries and UV−vis Spectra of Poly( l -glutamic acid) Featuring a Photochromic Azobenzene Side Chain

Loos, Pierre-François, Preat, Julien, Laurent, Adèle D., Michaux, Catherine, Jacquemin, Denis, Perpète, Eric A., Assfeld, Xavier

Journal:

Journal of Chemical Theory and Computation

Year:

2008

Language:

english

File:

PDF, 930 KB

english, 2008

28

A Density-Based Basis-Set Correction For Wave Function Theory

Loos, Pierre-Francois, Pradines, Bartélémy, Scemama, Anthony, Toulouse, Julien, Giner, Emmanuel

Journal:

The Journal of Physical Chemistry Letters

Year:

2019

Language:

english

File:

PDF, 1.34 MB

english, 2019

29

Leading-order behavior of the correlation energy in the uniform electron gas

Pierre-François Loos, Peter M. W. Gill

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 87 KB

english, 2012

30

Exact wave functions for concentric two-electron systems

Loos, Pierre-François, Gill, Peter M.W.

Journal:

Physics Letters A

Year:

2014

Language:

english

File:

PDF, 359 KB

english, 2014

31

Cross Comparisons Between Experiment, TD-DFT, CC, and ADC for Transition Energies

Suellen, Cinthia, Garcia Freitas, Renato, Loos, Pierre-Francois, Jacquemin, Denis

Journal:

Journal of Chemical Theory and Computation

Year:

2019

Language:

english

File:

PDF, 1.74 MB

english, 2019

32

Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks

Pierre-François Loos, Elise Dumont, Adèle D. Laurent, Xavier Assfeld

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 305 KB

english, 2009

33

Intramolecular interactions andcispeptidic bonds

Pierre-François Loos, Xavier Assfeld, Jean-Louis Rivail

Journal:

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

Year:

2007

Language:

english

File:

PDF, 302 KB

english, 2007

34

Natural occupation numbers in two-electron quantum rings

Tognetti, Vincent, Loos, Pierre-François

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 389 KB

english, 2016

35

Uniform electron gases. III. Low-density gases on three-dimensional spheres

Agboola, Davids, Knol, Anneke L., Gill, Peter M. W., Loos, Pierre-François

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 673 KB

english, 2015

36

Green Functions and Self-Consistency: Insights From the Spherium Model

Loos, Pierre-François, Romaniello, Pina, Berger, J. A.

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 696 KB

english, 2018

37

Chemically Accurate 0-0 Energies with not-so-Accurate Excited State Geometries

Loos, Pierre-Francois, Jacquemin, Denis

Journal:

Journal of Chemical Theory and Computation

Year:

2019

Language:

english

File:

PDF, 1.10 MB

english, 2019

38

Correlation energy of the spin-polarized uniform electron gas at high density

Loos, Pierre-François, Gill, Peter M. W.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 161 KB

english, 2011

39

Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes

Scemama, Anthony, Benali, Anouar, Jacquemin, Denis, Caffarel, Michel, Loos, Pierre-François

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 518 KB

english, 2018

40

Theoretical 0-0 Energies with Chemical Accuracy

Loos, Pierre-Francois, Galland, Nicolas, Jacquemin, Denis

Journal:

The Journal of Physical Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 604 KB

english, 2018

41

PT-Symmetry in Hartree--Fock Theory

Burton, Hugh G. A., Thom, Alex J.W., Loos, Pierre-Francois

Journal:

Journal of Chemical Theory and Computation

Year:

2019

Language:

english

File:

PDF, 2.45 MB

english, 2019

42

Understanding excitons using spherical geometry

Pierre-François Loos

Journal:

Physics Letters A

Year:

2012

Language:

english

File:

PDF, 182 KB

english, 2012

43

Excited states of spherium

Loos, Pierre-François, Gill, Peter M.W.

Journal:

Molecular Physics

Year:

2010

Language:

english

File:

PDF, 266 KB

english, 2010

44

Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory

Garniron, Yann, Scemama, Anthony, Loos, Pierre-François, Caffarel, Michel

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 674 KB

english, 2017

45

Distributed Gaussian orbitals for the description of electrons in an external potential

Brooke, Léa, Diaz-Marquez, Alejandro, Evangelisti, Stefano, Leininger, Thierry, Loos, Pierre-François, Suaud, Nicolas, Berger, J. A.

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 2.17 MB

english, 2018

46

Frozen core orbitals as an alternative to specific frontier bond potential in hybrid Quantum Mechanics/Molecular Mechanics methods

Arianna Fornili, Pierre-François Loos, Maurizio Sironi, Xavier Assfeld

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 195 KB

english, 2006

47

DFT and TD-DFT investigation of IR and UV spectra of solvated molecules: Comparison of two SCRF continuum models

Julien Preat, Pierre-François Loos, Xavier Assfeld, Denis Jacquemin, Eric A. Perpète

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 156 KB

english, 2007

48

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

49

Core-ionized and core-excited states of macromolecules

Pierre-François Loos, Xavier Assfeld

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 236 KB

english, 2007

50

Molecular electronic structure in one-dimensional Coulomb systems

Ball, Caleb J., Loos, Pierre-François, Gill, Peter M. W.

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 6.40 MB

english, 2017

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