Sałek ¶, Paweł: search on Z-Library

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1

New threshold voltage definition for undoped symmetrical DG MOSFET

Paweł Sałek, Lidia Łukasiak, Andrzej Jakubowski

Journal:

Microelectronics Reliability

Year:

2012

Language:

english

File:

PDF, 290 KB

english, 2012

2

Quantum-Classical Modeling of Nonlinear Pulse Propagation in a Dissolved Two-photon Active Chromophore

Baev, Alexander, Salek, Pawel, Gel'mukhanov, Faris, Ågren, Hans

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 233 KB

english, 2006

3

A comparison of density-functional-theory and coupled-cluster frequency-dependent polarizabilities and hyperpolarizabilities

Sałek ¶, Paweł, Helgaker *, Trygve, Vahtras, Olav, Ågren, Hans, Jonsson ⊥, Dan, Gauss, Jürgen

Journal:

Molecular Physics

Year:

2005

Language:

english

File:

PDF, 176 KB

english, 2005

4

The Calculation of Indirect Nuclear Spin–Spin Coupling Constants in Large Molecules

Mark A. Watson, Paweł Sałek, Peter Macak, Michał Jaszuński, Trygve Helgaker

Journal:

Chemistry - A European Journal

Year:

2004

Language:

english

File:

PDF, 372 KB

english, 2004

5

Static and Frequency-Dependent Dipole–Dipole Polarizabilities of All Closed-Shell Atoms up to Radium: A Four-Component Relativistic DFT Study

Radovan Bast, Andreas Heßelmann, Paweł Sałek, Trygve Helgaker, Trond Saue

Journal:

Year:

2008

Language:

english

File:

PDF, 310 KB

english, 2008

6

Systematic sparse matrix error control for linear scaling electronic structure calculations

Emanuel H. Rubensson, Paweł Sałek

Journal:

Journal of Computational Chemistry

Year:

2005

Language:

english

File:

PDF, 312 KB

english, 2005

7

A hierarchic sparse matrix data structure for large-scale Hartree-Fock/Kohn-Sham calculations

Emanuel H. Rubensson, Elias Rudberg, Paweł Sałek

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 597 KB

english, 2007

8

A self-contained and portable density functional theory library for use in Ab Initio quantum chemistry programs

Paweł Sałek, Andreas Hesselmann

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 128 KB

english, 2007

9

Basis set dependence of solute–solvent interaction energy of benzene in water: A HF/DFT study

Laban Bondesson, Elias Rudberg, Yi Luo, Paweł Sałek

Journal:

Journal of Computational Chemistry

Year:

2008

Language:

english

File:

PDF, 530 KB

english, 2008

10

Erratum: Basis set dependence of solute–solvent interaction energy of benzene in water: A HF/DFT study

Laban Bondesson, Elias Rudberg, Yi Luo, Paweł Sałek

Journal:

Journal of Computational Chemistry

Year:

2012

File:

PDF, 24 KB

2012

11

Linear response at the 4-component relativistic density-functional level: application to the frequency-dependent dipole polarizability of Hg, AuH and PtH2

Pawel Salek, Trygve Helgaker, Trond Saue

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 416 KB

english, 2005

12

Density-functional-theory study of the electric-field-induced second harmonic generation (EFISHG) of push–pull phenylpolyenes in solution

Lara Ferrighi, Luca Frediani, Chiara Cappelli, Paweł Sałek, Hans Ågren, Trygve Helgaker, Kenneth Ruud

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 160 KB

english, 2006

13

Choice of exchange-correlation functional for computing NMR indirect spin–spin coupling constants

Thomas W. Keal, Trygve Helgaker, Paweł Sałek, David J. Tozer

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 97 KB

english, 2006

14

Origin of fine structures on the dissociative 1s→σ∗ resonance in X-ray absorption spectra of O2

Yasen Velkov, Victor Kimberg, Nobuhiro Kosugi, Paweł Sałek, Faris Gel’mukhanov

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 392 KB

english, 2009

15

Doppler effect for bound nuclear motion and its manifestation in resonant photoemission of oriented systems

Pawel Sałek, Faris Gel'mukhanov, Timofei Privalov, Hans Ågren

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 207 KB

english, 2000

16

Sternheimer shieldings and EFG polarizabilities: a density-functional theory study

Antonio Rizzo, Kenneth Ruud, Trygve Helgaker, Paweł Sałek, Hans Ågren, Olav Vahtras

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 182 KB

english, 2003

17

Calculations of two-photon absorption cross sections by means of density-functional theory

Paweł Sałek, Olav Vahtras, Jingdong Guo, Yi Luo, Trygve Helgaker, Hans Ågren

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 183 KB

english, 2003

18

A wave-packet technique to simulate resonant X-ray scattering cross sections

Journal:

Computer Physics Communications

Year:

2003

Language:

english

File:

PDF, 207 KB

english, 2003

19

Density-functional theory of linear and nonlinear time-dependent molecular properties

Sałek, Paweł, Vahtras, Olav, Helgaker, Trygve, Ågren, Hans

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 456 KB

english, 2002

20

Variational and robust density fitting of four-center two-electron integrals in local metrics

Reine, Simen, Tellgren, Erik, Krapp, Andreas, Kjærgaard, Thomas, Helgaker, Trygve, Jansik, Branislav, Ho̸st, Stinne, Salek, Paweł

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 713 KB

english, 2008

21

Linear-scaling formation of Kohn-Sham Hamiltonian: Application to the calculation of excitation energies and polarizabilities of large molecular systems

Watson, Mark A., Sałek, Paweł, Macak, Peter, Helgaker, Trygve

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 559 KB

english, 2004

22

Density-functional studies of plasmons in small metal clusters

Lian, Ke-Yan, Sałek, Paweł, Jin, Mingxing, Ding, Dajun

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 623 KB

english, 2009

23

Truncation of small matrix elements based on the Euclidean norm for blocked data structures

Emanuel H. Rubensson, Elias Rudberg, Paweł Sałek

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 193 KB

english, 2009

24

Nonlocal Exchange Interaction Removes Half-Metallicity in Graphene Nanoribbons

Rudberg, Elias, Sałek, Paweł, Luo, Yi

Journal:

Year:

2007

Language:

english

File:

PDF, 369 KB

english, 2007

25

Doppler effects in resonant x-ray Raman scattering

Gel’mukhanov, Faris, Ågren, Hans, Sałek, Paweł

Journal:

Physical Review A

Year:

1998

Language:

english

File:

PDF, 345 KB

english, 1998

26

Structural and Electronic Properties of Polyacetylene and Polyyne from Hybrid and Coulomb-Attenuated Density Functionals

Peach, Michael J. G., Tellgren, Erik I., Sałek, Paweł, Helgaker, Trygve, Tozer, David J.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 97 KB

english, 2007

27

Two-Photon Absorption Properties of Two-Dimensional π-Conjugated Chromophores: Combined Experimental and Theoretical Study

Ohta, Koji, Yamada, Satoru, Kamada, Kenji, Slepkov, Aaron D., Hegmann, Frank A., Tykwinski, Rik R., Shirtcliff, Laura D., Haley, Michael M., Sałek, Paweł, Gel’mukhanov, Faris, Ågren, Hans

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.43 MB

english, 2011

28

Quantum Chemical Studies of Three-Photon Absorption of Some Stilbenoid Chromophores

Sałek, Pawel, Ågren, Hans, Baev, Alexander, Prasad, Paras N.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 69 KB

english, 2005

29

The trust-region self-consistent field method: Towards a black-box optimization in Hartree–Fock and Kohn–Sham theories

Thøgersen, Lea, Olsen, Jeppe, Yeager, Danny, Jørgensen, Poul, Sałek, Paweł, Helgaker, Trygve

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 407 KB

english, 2004

30

Automatic Selection of Integral Thresholds by Extrapolation in Coulomb and Exchange Matrix Constructions

Rudberg, Elias, Rubensson, Emanuel H., Sałek, Paweł

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 449 KB

english, 2009

31

Heisenberg Exchange in Dinuclear Manganese Complexes: A Density Functional Theory Study

Rudberg, Elias, Sałek, Paweł, Rinkevicius, Zilvinas, Ågren, Hans

Journal:

Journal of Chemical Theory and Computation

Year:

2006

Language:

english

File:

PDF, 269 KB

english, 2006

32

Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree−Fock and Kohn−Sham Response Theories

Kjærgaard, Thomas, Jørgensen, Poul, Thorvaldsen, Andreas J., Sałek, Paweł, Coriani, Sonia

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 783 KB

english, 2009

33

A Linear Scaling Study of Solvent−Solute Interaction Energy of Drug Molecules in Aqua Solution

Bondesson, Laban, Rudberg, Elias, Luo, Yi, Sałek, Paweł

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 182 KB

english, 2007

34

Kohn−Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage

Rudberg, Elias, Rubensson, Emanuel H., Sałek, Paweł

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 4.02 MB

english, 2011

35

Calculations of two-photon charge-transfer excitations using Coulomb-attenuated density-functional theory

Rudberg, Elias, Sałek, Paweł, Helgaker, Trygve, Ågren, Hans

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 323 KB

english, 2005

36

Density functional theory of nonlinear triplet response properties with applications to phosphorescence

Tunell, Ingvar, Rinkevicius, Zilvinas, Vahtras, Olav, Sałek, Paweł, Helgaker, Trygve, Ågren, Hans

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 358 KB

english, 2003

37

Restricted density functional theory of linear time-dependent properties in open-shell molecules

Rinkevicius, Zilvinas, Tunell, Ingvar, Sałek, Paweł, Vahtras, Olav, Ågren, Hans

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 427 KB

english, 2003

38

Singlet–triplet transitions in three-atomic molecules studied by time-dependent MCSCF and density functional theory

Minaev, Boris, Tunell, Ingvar, Salek, Pawel, Loboda, Oleksandr, Vahtras, Olav, Ågren *, Hans

Journal:

Molecular Physics

Year:

2004

Language:

english

File:

PDF, 306 KB

english, 2004

39

Density-functional theory study of electric and magnetic properties of hexafluorobenzene in the vapor phase

Rizzo, Antonio, Cappelli, Chiara, Jansík, Branislav, Jonsson, Dan, Sałek, Paweł, Coriani, Sonia, Wilson, David J. D., Helgaker, Trygve, Ågren, Hans

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 355 KB

english, 2005

40

Rotations of occupied invariant subspaces in self-consistent field calculations

Rubensson, Emanuel H., Rudberg, Elias, Sałek, Paweł

Journal:

Journal of Mathematical Physics

Year:

2008

Language:

english

File:

PDF, 582 KB

english, 2008

41

The trust-region self-consistent field method in Kohn–Sham density-functional theory

Tho̸gersen, Lea, Olsen, Jeppe, Köhn, Andreas, Jo̸rgensen, Poul, Sałek, Paweł, Helgaker, Trygve

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 486 KB

english, 2005

42

Calculations of static and dynamic polarizabilities of excited states by means of density functional theory

Jansik, Branislav, Jonsson, Dan, Sałek, Pawel, Ågren, Hans

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 315 KB

english, 2004

43

Density-functional and electron correlated study of five linear birefringences—Kerr, Cotton–Mouton, Buckingham, Jones, and magnetoelectric—in gaseous benzene

Rizzo, Antonio, Cappelli, Chiara, Jansı́k, Branislav, Jonsson, Dan, Sałek, Paweł, Coriani, Sonia, Ågren, Hans

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 450 KB

english, 2004

44

Cubic response functions in time-dependent density functional theory

Jansik, Branislav, Sałek, Paweł, Jonsson, Dan, Vahtras, Olav, Ågren, Hans

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 470 KB

english, 2005

45

Generalized Franck-Condon principle for resonant photoemission

Sałek, Paweł, Gel’mukhanov, Faris, Ågren, Hans, Björneholm, Olle, Svensson, Svante

Journal:

Physical Review A

Year:

1999

Language:

english

File:

PDF, 104 KB

english, 1999

46

Duration of x-ray Raman scattering

Gel’mukhanov, Faris, Sałek, Paweł, Privalov, Timofei, Ågren, Hans

Journal:

Physical Review A

Year:

1999

Language:

english

File:

PDF, 228 KB

english, 1999

47

Hartree–Fock calculations with linearly scaling memory usage

Rudberg, Elias, Rubensson, Emanuel H., Sałek, Paweł

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.25 MB

english, 2008

48

edge of HCl

Sałek, Paweł, Gel’mukhanov, Faris, Ågren, Hans

Journal:

Physical Review A

Year:

1999

Language:

english

File:

PDF, 317 KB

english, 1999

49

Restricted density-functional linear response theory calculations of electronic g-tensors

Rinkevicius, Zilvinas, Telyatnyk, Lyudmyla, Sałek, Paweł, Vahtras, Olav, Ågren, Hans

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 307 KB

english, 2003

50

X-ray Raman scattering under pulsed excitation

Gel’mukhanov, Faris, Sałek, Paweł, Shalagin, Anatoly, Ågren, Hans

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 412 KB

english, 2000