Widmark, Per Olof: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

Kristine Pierloot, Birgit Dumez, Per-Olof Widmark, Björn O. Roos

Journal:

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

Year:

1995

Language:

english

File:

PDF, 1.61 MB

english, 1995

2

New relativistic ANO basis sets for actinide atoms

Björn O. Roos, Roland Lindh, Per-Åke Malmqvist, Valera Veryazov, Per-Olof Widmark

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 114 KB

english, 2005

3

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

Per-Olof Widmark, B. Joakim Persson, Björn O. Roos

Journal:

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

Year:

1991

Language:

english

File:

PDF, 970 KB

english, 1991

4

Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions

Per-Olof Widmark, Per-Åke Malmqvist, Björn O. Roos

Journal:

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

Year:

1990

Language:

english

File:

PDF, 925 KB

english, 1990

5

Relativistic atomic natural orbital type basis sets for the alkaline and alkaline-earth atoms applied to the ground-state potentials for the corresponding dimers

Björn O. Roos, Valera Veryazov, Per-Olof Widmark

Journal:

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

Year:

2004

Language:

english

File:

PDF, 241 KB

english, 2004

6

MOLCAS: a program package for computational chemistry

Gunnar Karlström, Roland Lindh, Per-Åke Malmqvist, Björn O Roos, Ulf Ryde, Valera Veryazov, Per-Olof Widmark, Maurizio Cossi, Bernd Schimmelpfennig, Pavel Neogrady, Luis Seijo

Journal:

Computational Materials Science

Year:

2003

Language:

english

File:

PDF, 337 KB

english, 2003

7

New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF 3

Roos, Björn O., Lindh, Roland, Malmqvist, Per-Åke, Veryazov, Valera, Widmark, Per-Olof, Borin, Antonio Carlos

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 380 KB

english, 2008

8

New Relativistic ANO Basis Sets for Transition Metal Atoms

Roos, Björn O., Lindh, Roland, Malmqvist, Per-Åke, Veryazov, Valera, Widmark, Per-Olof

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 53 KB

english, 2005

9

Main Group Atoms and Dimers Studied with a New Relativistic ANO Basis Set

Roos, Björn O., Lindh, Roland, Malmqvist, Per-Åke, Veryazov, Valera, Widmark, Per-Olof

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 102 KB

english, 2004

10

Singlet and triplet potential surfaces for the nickel-ethylene [Ni(C2H4)] complex. A CASSCF-CI study

Widmark, Per Olof, Roos, Bjoern O., Siegbahn, Per E. M.

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 922 KB

english, 1985

11

A Quantum Chemical Study of the Quintuple Bond between Two Chromium Centers in [PhCrCrPh]: trans-Bent versus Linear Geometry

Marcin Brynda, Laura Gagliardi, Per-Olof Widmark, Philip P. Power, Björn O. Roos

Journal:

Angewandte Chemie

Year:

2006

Language:

english

File:

PDF, 279 KB

english, 2006

12

A Quantum Chemical Study of the Quintuple Bond between Two Chromium Centers in [PhCrCrPh]: trans-Bent versus Linear Geometry

Marcin Brynda, Laura Gagliardi, Per-Olof Widmark, Philip P. Power, Björn O. Roos

Journal:

Angewandte Chemie International Edition

Year:

2006

Language:

english

File:

PDF, 280 KB

english, 2006

13

An electron repulsion integral compression algorithm

Markus P. Fülscher, Per-Olof Widmark

Journal:

Journal of Computational Chemistry

Year:

1993

Language:

english

File:

PDF, 448 KB

english, 1993

14

A non-linear approach to configuration interaction: The low-rank CI method (LR CI)

Jeppe Olsen, Per-åke Malmqvist, Björn O. Roos, Roland Lindh, Per-Olof Widmark

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 894 KB

english, 1987

15

2MOLCAS as a development platform for quantum chemistry software

Valera Veryazov, Per-Olof Widmark, Luis Serrano-Andrés, Roland Lindh, Björn O. Roos

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 97 KB

english, 2004

16

A CASSCF-CI study of the coordination of ethylene with iron

Per -Olof Widmark, Björn O. Roos

Journal:

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

Year:

1989

Language:

english

File:

PDF, 893 KB

english, 1989

17

A CASSCF and CCI study of the formation of the Ni2(C2H4) complex

Per-Olof Widmark, Björn O. Roos

Journal:

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

Year:

1987

Language:

english

File:

PDF, 747 KB

english, 1987

18

A CASSCF and CCI study of the formation of the Ni2(C2H4) complex

Per -Olof Widmark, Björn O. Roos

Journal:

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

Year:

1989

File:

PDF, 32 KB

1989

19

A theoretical study of the N8 cubane to N8 pentalene isomerization reaction

Laura Gagliardi, Stefano Evangelisti, Per-Olof Widmark, Björn O. Roos

Journal:

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

Year:

1997

Language:

english

File:

PDF, 472 KB

english, 1997

20

The water dimer interaction energy: Convergence to the basis set limit at the correlated level

Schütz, Martin, Brdarski, Steve, Widmark, Per-Olof, Lindh, Roland, Karlström, Gunnar

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 406 KB

english, 1997

21

A CASSCF and CCI study of the potential surfaces of Ni(C2H2) and Pd(C2H2)

Per-Olof Widmark, Graham J. Sexton, Björn O. Roos

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1986

Language:

english

File:

PDF, 544 KB

english, 1986

22

The ground state and electronic spectrum of CUO: a mystery

Roos, Bj�rn O., Widmark, Per-Olof, Gagliardi, Laura

Journal:

Faraday Discussions

Year:

2003

Language:

english

File:

PDF, 125 KB

english, 2003

23

Basis set representation of the electron density at an atomic nucleus

Mastalerz, Remigius, Widmark, Per-Olof, Roos, Björn Olof, Lindh, Roland, Reiher, Markus

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 342 KB

english, 2010

24

The ammonia dimer equilibrium dissociation energy: convergence to the basis set limit at the correlated level

STÅLRING, JONNA, SCHÜTZ, MARTIN, LINDH, ROLAND, KARLSTRÖM, GUNNAR, WIDMARK, PER-OLOF

Journal:

Molecular Physics

Year:

2002

Language:

english

File:

PDF, 970 KB

english, 2002

25

Theoretical study of the unusual potential energy curve of the A [sup 1]Σ[sup +] state of AgH

Witek, Henryk A., Fedorov, Dmitri G., Hirao, Kimihiko, Viel, Alexandra, Widmark, Per-Olof

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 373 KB

english, 2002

26

Ground- and excited-state properties of neutral and anionic selenium dimers and trimers

Heinemann, Christoph, Koch, Wolfram, Lindner, Gottlieb-Georg, Reinen, Dirk, Widmark, Per-Olof

Journal:

Physical Review A

Year:

1996

Language:

english

File:

PDF, 252 KB

english, 1996

27

Conformational properties and apparent dissociation constants of titrating polyelectrolytes: Monte Carlo simulation and scaling arguments

Ullner, Magnus, Jönsson, Bo, Widmark, Per-Olof

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 396 KB

english, 1994

28

Living after radical prostatectomy for localized prostate cancer. A qualitative analysis of patient narratives*

Hedestig, Oliver, Sandman, Per-Olof, Tomic, Radisa, Widmark, Anders

Journal:

Acta Oncologica

Year:

2005

Language:

english

File:

PDF, 85 KB

english, 2005

29

Living With Untreated Localized Prostate Cancer

Hedestig, Oliver, Sandman, Per-Olof, Widmark, Anders

Journal:

Year:

2003

Language:

english

File:

PDF, 87 KB

english, 2003

30

Living After External Beam Radiotherapy of Localized Prostate Cancer

Hedestig, Oliver, Sandman, Per-Olof, Tomic, Radisa, Widmark, Anders

Journal:

Year:

2005

Language:

english

File:

PDF, 137 KB

english, 2005

31

Multiconfigurational Quantum Chemistry || Front Matter

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 182 KB

english, 2016

32

Multiconfigurational Quantum Chemistry || Relativistic Effects

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 107 KB

english, 2016

33

Multiconfigurational Quantum Chemistry || The Multireference CI Method

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 81 KB

english, 2016

34

Multiconfigurational Quantum Chemistry || The RAS State-Interaction method

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 87 KB

english, 2016

35

Multiconfigurational Quantum Chemistry || Hartree-Fock Theory

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 157 KB

english, 2016

36

Multiconfigurational Quantum Chemistry || Electron correlation

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 452 KB

english, 2016

37

Multiconfigurational Quantum Chemistry || Multiconfigurational Reference Perturbation Theory

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 180 KB

english, 2016

38

Multiconfigurational Quantum Chemistry || CASPT2/CASSCF Applications

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 2.44 MB

english, 2016

39

Multiconfigurational Quantum Chemistry || Second quantization and multiconfigurational wave functions

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 114 KB

english, 2016

40

Multiconfigurational Quantum Chemistry || Basis Sets

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 210 KB

english, 2016

41

Multiconfigurational Quantum Chemistry || Mathematical Background

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 129 KB

english, 2016

42

Multiconfigurational Quantum Chemistry || Introduction

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 109 KB

english, 2016

43

Multiconfigurational Quantum Chemistry || Multiconfigurational SCF Theory

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 557 KB

english, 2016

44

Multiconfigurational Quantum Chemistry || Molecular Orbital Theory

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 370 KB

english, 2016

45

Multiconfigurational Quantum Chemistry || Index

Roos, Björn O., Lindh, Roland, Malmqvist, Per Åke, Veryazov, Valera, Widmark, Per-Olof

Year:

2016

Language:

english

File:

PDF, 55 KB

english, 2016

46

Uncontracted basis sets for ab initio calculations of muonic atoms and molecules

Ugandi, Mihkel, Fdez. Galván, Ignacio, Widmark, Per-Olof, Lindh, Roland

Journal:

International Journal of Quantum Chemistry

Year:

2018

Language:

english

File:

PDF, 1003 KB

english, 2018

47

New compact density matrix averaged ANO basis sets for relativistic calculations

Widmark, Per-Olof, Zobel, J. Patrick, Vysotskiy, Victor P., Tsuchiya, Takashi, Veryazov, Valera

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 619 KB

english, 2018

48

The ANO-R Basis Set

Zobel, J. Patrick, Widmark, Per-Olof, Veryazov, Valera

Journal:

Journal of Chemical Theory and Computation

Year:

2019

File:

PDF, 1.21 MB

2019

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Z-Library Since 2009 support@z-lib.do

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски