Lucas Visscher: search on Z-Library

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1

Relativistic all-electron Dirac-Fock-Breit calculations on xenon fluorides (XeFn,n = 1, 2, 4, 6)

Styszy?ski, Jacek, Cao, Xiaoping, Malli, Gulzari L., Visscher, Lucas

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 175 KB

english, 1997

2

On the distinction between scalar and spin–orbit relativistic effects

Lucas Visscher, Erik van Lenthe

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 84 KB

english, 1999

3

Toward a Practical Method for Adaptive QM/MM Simulations

Bulo, Rosa E., Ensing, Bernd, Sikkema, Jetze, Visscher, Lucas

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 3.54 MB

english, 2009

4

Editorial

Mongelli, Luca, Leone, Maria Isabella, Martini, Antonella, Rullani, Francesco, Björk, Jennie, Visscher, Klaasjan

Journal:

Creativity and Innovation Management

Year:

2015

Language:

english

File:

PDF, 39 KB

english, 2015

5

Relativistic Cholesky-decomposed density matrix MP2

Helmich-Paris, Benjamin, Repisky, Michal, Visscher, Lucas

Journal:

Chemical Physics

Year:

2019

Language:

english

File:

PDF, 2.57 MB

english, 2019

6

Full four-component relativistic calculations of NMR shielding and indirect spin-spin coupling tensors in hydrogen halides

Visscher, Lucas, Enevoldsen, Thomas, Saue, Trond, Jensen, Hans J�rgen Aagard, Oddershede, Jens

Journal:

Journal of Computational Chemistry

Year:

1999

Language:

english

File:

PDF, 230 KB

english, 1999

7

Relativistic Quantum Chemistry : The Fundamental Theory of Molecular Science

Journal:

Advanced Materials

Year:

2009

Language:

english

File:

PDF, 76 KB

english, 2009

8

Infrared Spectroscopy of Dioxouranium(V) Complexes with Solvent Molecules: Effect of Reduction

Gary S. Groenewold, Michael J. Van Stipdonk, Wibe A. de Jong, Jos Oomens, Garold L. Gresham, Michael E. McIlwain, Da Gao, Bertrand Siboulet, Lucas Visscher, Michael Kullman, Nick Polfer

Journal:

Year:

2008

Language:

english

File:

PDF, 332 KB

english, 2008

9

The Dirac equation in quantum chemistry: Strategies to overcome the current computational problems

Journal:

Journal of Computational Chemistry

Year:

2002

Language:

english

File:

PDF, 105 KB

english, 2002

10

Parallelization of four-component calculations. II. Symmetry-driven parallelization of the 4-Spinor CCSD algorithm

Markus Pernpointner, Lucas Visscher

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 96 KB

english, 2003

11

QM/MM study of aqueous solvation of the uranyl fluoride [UO2F] complex

Ivan Infante, Lucas Visscher

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 146 KB

english, 2004

12

A QM/MM study on the aqueous solvation of the tetrahydroxouranylate [UO2(OH)4]2− complex ion

Ivan Infante, Bas van Stralen, Lucas Visscher

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 329 KB

english, 2006

13

A flexible implementation of frozen-density embedding for use in multilevel simulations

Christoph R. Jacob, Johannes Neugebauer, Lucas Visscher

Journal:

Journal of Computational Chemistry

Year:

2008

Language:

english

File:

PDF, 205 KB

english, 2008

14

PyADF — A scripting framework for multiscale quantum chemistry

Christoph R. Jacob, S. Maya Beyhan, Rosa E. Bulo, André Severo Pereira Gomes, Andreas W. Götz, Karin Kiewisch, Jetze Sikkema, Lucas Visscher

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 559 KB

english, 2011

15

On the construction of double group molecular symmetry functions

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 485 KB

english, 1996

16

First-order MP2 molecular properties in a relativistic framework

Joost N.P. van Stralen, Lucas Visscher, Christoffer Vaaben Larsen, Hans Jørgen Aa. Jensen

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 408 KB

english, 2005

17

The influence of core correlation on the spectroscopic constants of HAt

André Severo Pereira Gomes, Lucas Visscher

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 257 KB

english, 2004

18

An indirect approach to the determination of the nuclear quadrupole moment by four-component relativistic DFT in molecular calculations

Leonardo Belpassi, Francesco Tarantelli, Antonio Sgamellotti, Andreas W. Götz, Lucas Visscher

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 125 KB

english, 2007

19

The nuclear electric quadrupole moment of lutetium from the molecular method

Roberto L.A. Haiduke, Albérico B.F. da Silva, Lucas Visscher

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 134 KB

english, 2007

20

The 4-component random phase approximation method applied to the calculation of frequency-dependent dipole polarizabilities

Lucas Visscher, Trond Saue, Jens Oddershede

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 479 KB

english, 1997

21

Kramers-restricted closed-shell CCSD theory

Lucas Visscher, Kenneth G. Dyall, Timothy J. Lee

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 639 KB

english, 1995

22

Relativistic calculations on thallium hydride

Knut Fægri Jr, Lucas Visscher

Journal:

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

Year:

2001

Language:

english

File:

PDF, 65 KB

english, 2001

23

A Bayesian decision-support system for diagnosing ventilator-associated pneumonia

Carolina A. M. Schurink, Stefan Visscher, Peter J. F. Lucas, Henk J. van Leeuwen, Erik Buskens, Reinier G. Hoff, Andy I. M. Hoepelman, Marc J. M. Bonten

Journal:

Intensive Care Medicine

Year:

2007

Language:

english

File:

PDF, 270 KB

english, 2007

24

Effects of systemic antibiotic therapy on bacterial persistence in the respiratory tract of mechanically ventilated patients

Stefan Visscher, Carolina A. M. Schurink, Wilhelmina G. Melsen, Peter J. F. Lucas, Marc J. M. Bonten

Journal:

Intensive Care Medicine

Year:

2008

Language:

english

File:

PDF, 147 KB

english, 2008

25

Using the locality of the small-component density in molecular Dirac–Hartree-Fock calculations

G. Theodoor de Jong, Lucas Visscher

Journal:

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

Year:

2002

Language:

english

File:

PDF, 117 KB

english, 2002

26

Systematic Sequences of Geometric Relativistic Basis Sets. I:s- andp-Block Elements up to Xe

André Severo Pereira Gomes, Rogério Custodio, Lucas Visscher

Journal:

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

Year:

2006

Language:

english

File:

PDF, 251 KB

english, 2006

27

Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the lanthanides La–Lu

André S. P. Gomes, Kenneth G. Dyall, Lucas Visscher

Journal:

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

Year:

2010

Language:

english

File:

PDF, 352 KB

english, 2010

28

Mössbauer spectroscopy for heavy elements: a relativistic benchmark study of mercury

Stefan Knecht, Samuel Fux, Robert van Meer, Lucas Visscher, Markus Reiher, Trond Saue

Journal:

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

Year:

2011

Language:

english

File:

PDF, 516 KB

english, 2011

29

Approximate molecular relativistic Dirac-Coulomb calculations using a simple Coulombic correction

Journal:

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

Year:

1997

Language:

english

File:

PDF, 269 KB

english, 1997

30

A dynamic Bayesian network for diagnosing ventilator-associated pneumonia in ICU patients

Theodore Charitos, Linda C. van der Gaag, Stefan Visscher, Karin A.M. Schurink, Peter J.F. Lucas

Journal:

Expert Systems with Applications

Year:

2009

Language:

english

File:

PDF, 439 KB

english, 2009

31

Memory keeps you at home: a mechanistic model for home range emergence

Bram Van Moorter, Darcy Visscher, Simon Benhamou, Luca Börger, Mark S. Boyce, Jean-Michel Gaillard

Journal:

Year:

2009

Language:

english

File:

PDF, 492 KB

english, 2009

32

Arbitrary-Order Density Functional Response Theory from Automatic Differentiation

Ekström, Ulf, Visscher, Lucas, Bast, Radovan, Thorvaldsen, Andreas J., Ruud, Kenneth

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 1.26 MB

english, 2010

33

Modelling treatment effects in a clinical Bayesian network using Boolean threshold functions

Stefan Visscher, Peter J.F. Lucas, Carolina A.M. Schurink, Marc J.M. Bonten

Journal:

Artificial Intelligence in Medicine

Year:

2009

Language:

english

File:

PDF, 600 KB

english, 2009

34

Relativistic and Non-Relativistic Electronic Molecular-Structure Calculations for Dimers of 4p-, 5p-, and 6p-Block Elements

Dr. Sebastian Höfener, Prof. Dr. Reinhart Ahlrichs, Dr. Stefan Knecht, Prof. Dr. Lucas Visscher

Journal:

Year:

2012

Language:

english

File:

PDF, 339 KB

english, 2012

35

Inspection time and cognitive abilities in twins aged 7 to 17 years: Age-related changes, heritability and genetic covariance

Caroline J. Edmonds, Elizabeth B. Isaacs, Peter M. Visscher, Mary Rogers, Julie Lanigan, Atul Singhal, Alan Lucas, Paul Gringras, Jane Denton, Ian J. Deary

Journal:

Year:

2008

Language:

english

File:

PDF, 370 KB

english, 2008

36

Orbital-free embedding applied to the calculation of induced dipole moments in CO[sub 2]⋯X (X=He, Ne, Ar, Kr, Xe, Hg) van der Waals complexes

Jacob, Christoph R., Wesolowski, Tomasz A., Visscher, Lucas

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 342 KB

english, 2005

37

On the performance of the intermediate Hamiltonian Fock-space coupled-cluster method on linear triatomic molecules: The electronic spectra of NpO[sub 2][sup +], NpO[sub 2][sup 2+], and PuO[sub 2][sup 2+]

Infante, Ivan, Severo Pereira Gomes, André, Visscher, Lucas

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 354 KB

english, 2006

38

A Fock space coupled cluster study on the electronic structure of the UO[sub 2], UO[sub 2][sup +], U[sup 4+], and U[sup 5+] species

Infante, Ivan, Eliav, Ephraim, Vilkas, Marius J., Ishikawa, Yasuyuki, Kaldor, Uzi, Visscher, Lucas

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 385 KB

english, 2007

39

The importance of spin-orbit coupling and electron correlation in the rationalization of the ground state of the CUO molecule

Infante, Ivan, Visscher, Lucas

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 287 KB

english, 2004

40

Relativistic quantum chemistry on quantum computers

Veis, Libor, Višňák, Jakub, Fleig, Timo, Knecht, Stefan, Saue, Trond, Visscher, Lucas, Pittner, Jiří

Journal:

Physical Review A

Year:

2012

Language:

english

File:

PDF, 349 KB

english, 2012

41

Vibrational Spectroscopy of Mass-Selected [UO 2 (ligand) n ] 2+ Complexes in the Gas Phase: Comparison with Theory

Groenewold, Gary S., Gianotto, Anita K., Cossel, Kevin C., Van Stipdonk, Michael J., Moore, David T., Polfer, Nick, Oomens, Jos, de Jong, Wibe A., Visscher, Lucas

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 515 KB

english, 2006

42

Formulation and implementation of the relativistic Fock-space coupled cluster method for molecules

Visscher, Lucas, Eliav, Ephraim, Kaldor, Uzi

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 349 KB

english, 2001

43

Bond energy decomposition analysis for subsystem density functional theory

Beyhan, S. Maya, Götz, Andreas W., Visscher, Lucas

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 820 KB

english, 2013

44

The electronic structure of the triiodide ion from relativistic correlated calculations: A comparison of different methodologies

Gomes, André Severo Pereira, Visscher, Lucas, Bolvin, Hélène, Saue, Trond, Knecht, Stefan, Fleig, Timo, Eliav, Ephraim

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 724 KB

english, 2010

45

Formulation and implementation of a relativistic unrestricted coupled-cluster method including noniterative connected triples

Visscher, Lucas, Lee, Timothy J., Dyall, Kenneth G.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 432 KB

english, 1996

46

Fluorescence behavior of (selected) flavonols: a combined experimental and computational study

Höfener, Sebastian, Kooijman, Pieter C., Groen, Janneke, Ariese, Freek, Visscher, Lucas

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.64 MB

english, 2013

47

Approximate relativistic electronic structure methods based on the quaternion modified Dirac equation

Visscher, Lucas, Saue, Trond

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 341 KB

english, 2000

48

Infrared Spectroscopy of Discrete Uranyl Anion Complexes

Groenewold, Gary S., Gianotto, Anita K., McIlwain, Michael E., Van Stipdonk, Michael J., Kullman, Michael, Moore, David T., Polfer, Nick, Oomens, Jos, Infante, Ivan, Visscher, Lucas, Siboulet, Bertran

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 459 KB

english, 2008

49

Solvatochromic shifts from coupled-cluster theory embedded in density functional theory

Höfener, Sebastian, Gomes, André Severo Pereira, Visscher, Lucas

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 694 KB

english, 2013

50

Relativistic four-component calculations of indirect nuclear spin–spin couplings in MH[sub 4] (M=C, Si, Ge, Sn, Pb) and Pb(CH[sub 3])[sub 3]H

Enevoldsen, Thomas, Visscher, Lucas, Saue, Trond, Jensen, Hans Jørgen Aagaard, Oddershede, Jens

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 237 KB

english, 2000