Piotr Piecuch: search on Z-Library

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1

[Progress in Theoretical Chemistry and Physics] Frontiers in Quantum Systems in Chemistry and Physics Volume 18 || An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry

Wilson, Stephen, Grout, Peter J., Maruani, Jean, Delgado-Barrio, Gerardo, Piecuch, Piotr

Year:

2008

Language:

english

File:

PDF, 220 KB

english, 2008

2

[Progress in Theoretical Chemistry and Physics] Advances in the Theory of Quantum Systems in Chemistry and Physics Volume 22 ||

Hoggan, Philip E., Brändas, Erkki J., Maruani, Jean, Piecuch, Piotr, Delgado-Barrio, Gerardo

Year:

2012

Language:

english

File:

PDF, 14.04 MB

english, 2012

3

[Progress in Theoretical Chemistry and Physics] Quantum Systems in Chemistry and Physics Volume 26 ||

Nishikawa, Kiyoshi, Maruani, Jean, Brändas, Erkki J., Delgado-Barrio, Gerardo, Piecuch, Piotr

Year:

2012

Language:

english

File:

PDF, 13.30 MB

english, 2012

4

[Progress in Theoretical Chemistry and Physics] Advances in the Theory of Atomic and Molecular Systems Volume 20 || Quantum Theory in Terms of Cumulant Variables

Piecuch, Piotr, Maruani, Jean, Delgado-Barrio, Gerardo, Wilson, Stephen

Year:

2009

Language:

english

File:

PDF, 1.63 MB

english, 2009

5

Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian

Piecuch, Piotr, Włoch, Marta

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 359 KB

english, 2005

6

Coupled-cluster approaches with an approximate account of triexcitations and the optimized-inner-projection technique. III. Lower bounds to the ground-state correlation energy of cyclic-polyene model systems

Piecuch, Piotr, Zarrabian, Sohrab, Paldus, Josef, Čižek, Jiří

Journal:

Physical Review A

Year:

1990

Language:

english

File:

PDF, 799 KB

english, 1990

7

Spherical tensor theory of long-range interactions between two molecules

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 858 KB

english, 1984

8

Doubly electron-attached and doubly ionised equation-of-motion coupled-cluster methods with full and active-space treatments of 4-particle–2-hole and 4-hole–2-particle excitations: the role of orbital choices

Shen, Jun, Piecuch, Piotr

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 276 KB

english, 2014

9

[AIP NUCLEI AND MESOSCOPIC PHYSICS: Workshop on Nuclei and Mesoscopic Physic - WNMP 2007 - East Lansing (Michigan) (20–22 October 2007)] AIP Conference Proceedings - Decay Rates Statistics of Unstable Classically Chaotic Systems

Sokolov, Valentin V., Danielewicz, Pawel, Piecuch, Piotr, Zelevinsky, Vladimir

Year:

2008

Language:

english

File:

PDF, 400 KB

english, 2008

10

Coupled quasidiabatic potential energy surfaces for LiFH

Jasper, Ahren W., Hack, Michael D., Truhlar, Donald G., Piecuch, Piotr

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 434 KB

english, 2002

11

[Progress in Theoretical Chemistry and Physics] Advances in the Theory of Atomic and Molecular Systems Volume 19 || On the Wave Function of Coulson and Fischer: A Third Way in Quantum Chemistry

Piecuch, Piotr, Maruani, Jean, Delgado-Barrio, Gerardo, Wilson, Stephen

Year:

2009

Language:

english

File:

PDF, 525 KB

english, 2009

12

Automated derivation and parallel computer implementation of renormalized and active-space coupled-cluster methods

Piotr Piecuch, So Hirata, Karol Kowalski, Peng-Dong Fan, Theresa L. Windus

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 320 KB

english, 2006

13

[Progress in Theoretical Chemistry and Physics] Frontiers in Quantum Systems in Chemistry and Physics Volume 18 || Viscosity of Liquid Water via Equilibrium Molecular Dynamics Simulations

Wilson, Stephen, Grout, Peter J., Maruani, Jean, Delgado-Barrio, Gerardo, Piecuch, Piotr

Year:

2008

Language:

english

File:

PDF, 208 KB

english, 2008

14

Supplement to spherical tensor theory of long-range interactions between two molecules

Journal:

International Journal of Quantum Chemistry

Year:

1985

Language:

english

File:

PDF, 527 KB

english, 1985

15

[Progress in Theoretical Chemistry and Physics] Frontiers in Quantum Systems in Chemistry and Physics Volume 18 || Interactions and Collision Dynamics in O2 + O2

Wilson, Stephen, Grout, Peter J., Maruani, Jean, Delgado-Barrio, Gerardo, Piecuch, Piotr

Year:

2008

Language:

english

File:

PDF, 249 KB

english, 2008

16

[Progress in Theoretical Chemistry and Physics] Advances in the Theory of Atomic and Molecular Systems Volume 19 ||

Piecuch, Piotr, Maruani, Jean, Delgado-Barrio, Gerardo, Wilson, Stephen

Year:

2009

Language:

english

File:

PDF, 21.93 MB

english, 2009

17

model systems. II. Nonplanar models

Piecuch, Piotr, Paldus, Josef

Journal:

Physical Review A

Year:

1994

Language:

english

File:

PDF, 2.13 MB

english, 1994

18

New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states

Kowalski, Karol, Piecuch, Piotr

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 495 KB

english, 2004

19

Active-space coupled-cluster methods

Journal:

Molecular Physics

Year:

2010

Language:

english

File:

PDF, 400 KB

english, 2010

20

Comparison of low-order multireference many-body perturbation theories

Chaudhuri, Rajat K., Freed, Karl F., Hose, Gabriel, Piecuch, Piotr, Kowalski, Karol, Włoch, Marta, Chattopadhyay, Sudip, Mukherjee, Debashis, Rolik, Zoltán, Szabados, Ágnes, Tóth, Gábor, Surján,

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 346 KB

english, 2005

21

Higher-order interaction energies for a system of N arbitrary molecules in the light of spherical tensor theory

Journal:

Journal of Mathematical Physics

Year:

1986

Language:

english

File:

PDF, 1.49 MB

english, 1986

22

A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects

Zheng, Jingjing, Gour, Jeffrey R., Lutz, Jesse J., Włoch, Marta, Piecuch, Piotr, Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 99 KB

english, 2008

23

UPF0586 Protein C9orf41 Homolog Is Anserine-producing Methyltransferase

Drozak, Jakub, Piecuch, Maria, Poleszak, Olga, Kozlowski, Piotr, Chrobok, Lukasz, Baelde, Hans J., de Heer, Emile

Journal:

Journal of Biological Chemistry

Year:

2015

Language:

english

File:

PDF, 4.72 MB

english, 2015

24

A study of 1A1-3B1 separation in CH2 using orthogonally spin-adapted state-universal and state-specific coupled-cluster methods

Xiangzhu Li, Piotr Piecuch, Josef Paldus

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 753 KB

english, 1994

25

Comparison of the completely renormalized equation-of-motion coupled-cluster and Quantum Monte Carlo results for the low-lying electronic states of methylene

Gour, Jeffrey R., Piecuch, Piotr, Włoch, Marta

Journal:

Molecular Physics

Year:

2010

Language:

english

File:

PDF, 141 KB

english, 2010

26

New classes of non-iterative energy corrections to multi-reference coupled-cluster energies

Kowalski, Karol, Piecuch *, Piotr

Journal:

Molecular Physics

Year:

2004

Language:

english

File:

PDF, 324 KB

english, 2004

27

[Progress in Theoretical Chemistry and Physics] Quantum Systems in Chemistry and Physics Volume 26 || Molecular Dynamics Study of Glutathione S-Transferase: Structure and Binding Character of Glutathione

Nishikawa, Kiyoshi, Maruani, Jean, Brändas, Erkki J., Delgado-Barrio, Gerardo, Piecuch, Piotr

Year:

2012

Language:

english

File:

PDF, 274 KB

english, 2012

28

Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules

Włoch, Marta, Gour, Jeffrey R., Kowalski, Karol, Piecuch, Piotr

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 427 KB

english, 2005

29

A state-selective multireference coupled-cluster theory employing the single-reference formalism

Piecuch, Piotr, Oliphant, Nevin, Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 2.47 MB

english, 1993

30

[AIP THEORY AND APPLICATIONS OF COMPUTATIONAL CHEMISTRY—2008 - Shanghai (China) (23–27 September 2008)] AIP Conference Proceedings - Local Correlation Calculations Using Standard and Renormalized Coupled-Cluster Methods

Li, Wei, Piecuch, Piotr, Gour, Jeffrey R., Wei, Dong-Qing, Wang, Xi-Jun

Year:

2009

File:

PDF, 6.41 MB

2009

31

Can ordinary single-reference coupled-cluster methods describe the potential energy curve of N2? The renormalized CCSDT(Q) study

Piotr Piecuch, Stanisław A. Kucharski, Karol Kowalski

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 164 KB

english, 2001

32

interaction

Roth, Robert, Gour, Jeffrey R., Piecuch, Piotr

Journal:

Physical Review C

Year:

2009

Language:

english

File:

PDF, 461 KB

english, 2009

33

Diffusion of Atomic Oxygen on the Si(100) Surface

Arora, Pooja, Li, Wei, Piecuch, Piotr, Evans, James W., Albao, Marvin, Gordon, Mark S.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 3.36 MB

english, 2010

34

Breaking bonds with the left eigenstate completely renormalized coupled-cluster method

Ge, Yingbin, Gordon, Mark S., Piecuch, Piotr

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.32 MB

english, 2007

35

[AIP NUCLEI AND MESOSCOPIC PHYSICS: Workshop on Nuclei and Mesoscopic Physic - WNMP 2007 - East Lansing (Michigan) (20–22 October 2007)] AIP Conference Proceedings - Cold atom ballistics by coherent control

Reichl, Linda E., Holder, Benjamin P., Danielewicz, Pawel, Piecuch, Piotr, Zelevinsky, Vladimir

Year:

2008

Language:

english

File:

PDF, 1.27 MB

english, 2008

36

Geometries, Binding Energies, Ionization Potentials, and Electron Affinities of Metal Clusters: Mg n0,+-1 , n = 1−7

Duanmu, Kaining, Roberto-Neto, Orlando, Machado, Francisco Bolivar Correto, Hansen, Jared A., Shen, Jun, Piecuch, Piotr, Truhlar, Donald G.

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 1.57 MB

english, 2016

37

AIP Conference Proceedings [AIP Publishing LLC PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2010 (ICCMSE-2010) - Kos, Greece (3–8 October 2010)] - Dealing with chemical reaction pathways and electronic excitations in molecular systems via renormalized and active-space coupled-cluster methods

Piecuch, Piotr, Włoch, Marta, Gour, Jeffrey R., Li, Wei, Lutz, Jesse J.

Year:

2015

Language:

english

File:

PDF, 304 KB

english, 2015

38

Accelerating convergence of equation-of-motion coupled-cluster computations using the semi-stochastic CC( P ; Q ) formalism

Yuwono, Stephen H., Chakraborty, Arnab, Emiliano Deustua, J., Shen, Jun, Piecuch, Piotr

Journal:

Molecular Physics

Year:

2020

File:

PDF, 3.17 MB

2020

39

An ab initio determination of 1A1-3B1 energy gap in CH2 using orthogonally spin-adapted state-universal and state-specific coupled-cluster methods

Piotr Piecuch, Xiangzhu Li, Josef Paldus

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 967 KB

english, 1994

40

Merging Active-Space and Renormalized Coupled-Cluster Methods via the CC( P ; Q ) Formalism, with Benchmark Calculations for Singlet–Triplet Gaps in Biradical Systems

Shen, Jun, Piecuch, Piotr

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 556 KB

english, 2012

41

Incorporating a completely renormalized coupled cluster approach into a composite method for thermodynamic properties and reaction paths

Nedd, Sean A., DeYonker, Nathan J., Wilson, Angela K., Piecuch, Piotr, Gordon, Mark S.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 537 KB

english, 2012

42

The Electronic Structure and Vibrational Spectrum of trans -HNOO †

DeKock, Roger L., McGuire, Michael J., Piecuch, Piotr, Allen, Wesley D., Schaefer, Henry F., Kowalski, Karol, Kucharski, Stanisław A., Musiał, Monika, Bonner, Adam R., Spronk, Steven A., Lawson, Danie

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 93 KB

english, 2004

43

Complete set of solutions of multireference coupled-cluster equations: The state-universal formalism

Kowalski, Karol, Piecuch, Piotr

Journal:

Physical Review A

Year:

2000

Language:

english

File:

PDF, 109 KB

english, 2000

44

[AIP NUCLEI AND MESOSCOPIC PHYSICS: Workshop on Nuclei and Mesoscopic Physic - WNMP 2007 - East Lansing (Michigan) (20–22 October 2007)] AIP Conference Proceedings - Quantum Transport in Mesoscopic Semiconductor Devices: Vortices, Flows and Atomistic Effects

Barker, John R., Danielewicz, Pawel, Piecuch, Piotr, Zelevinsky, Vladimir

Year:

2008

File:

PDF, 5.40 MB

2008

45

[AIP NUCLEI AND MESOSCOPIC PHYSICS: Workshop on Nuclei and Mesoscopic Physics: WNMP 2004 - East Lansing, Michigan (USA) (23-26 October 2004)] AIP Conference Proceedings - Bridging quantum chemistry and nuclear structure theory: Coupled-cluster calculations for closed- and open-shell nuclei

Year:

2005

Language:

english

File:

PDF, 485 KB

english, 2005

46

[AIP NUCLEI AND MESOSCOPIC PHYSICS: Workshop on Nuclei and Mesoscopic Physic - WNMP 2007 - East Lansing (Michigan) (20–22 October 2007)] AIP Conference Proceedings - Thermodynamic analysis of spectra

Mitchell, G. E., Shriner, J. F., Danielewicz, Pawel, Piecuch, Piotr, Zelevinsky, Vladimir

Year:

2008

Language:

english

File:

PDF, 502 KB

english, 2008

47

Efficient formulation and computer implementation of the active-space electron-attached and ionized equation-of-motion coupled-cluster methods

Gour, Jeffrey R., Piecuch, Piotr

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 397 KB

english, 2006

48

On the significance of quadruply excited clusters in coupled-cluster calculations for the low-lying states of BN and

Xiangzhu Li, Jeffrey R. Gour, Josef Paldus, Piotr Piecuch

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 209 KB

english, 2008

49

Coupled-cluster methods with internal and semi-internal triply excited clusters: Vibrational spectrum of the HF molecule

Piecuch, Piotr, Kucharski, Stanisław A., Špirko, Vladimir

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 394 KB

english, 1999

50

Method of moments of coupled-cluster equations: The quasivariational and quadratic approximations

Pimienta, Ian S. O., Kowalski, Karol, Piecuch, Piotr

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 382 KB

english, 2003

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