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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

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

3

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

4

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

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

[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

7

[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

8

[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

9

[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

10

[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

11

[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

12

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

13

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

14

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

15

[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

16

[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

17

Where Does the Planar-to-Nonplanar Turnover Occur in Small Gold Clusters?

Ryan M. Olson, Sergey Varganov, Mark S. Gordon, Horia Metiu, Steeve Chretien, Piotr Piecuch, Karol Kowalski, Stanislaw A. Kucharski, Monika Musial

Journal:

Year:

2005

File:

PDF, 8 KB

2005

18

Detailed chemical kinetic modeling of JP-10 (exo-tetrahydrodicyclopentadiene) high-temperature oxidation: Exploring the role of biradical species in initial decomposition steps

Gregory R. Magoon, Jorge Aguilera-Iparraguirre, William H. Green, Jesse J. Lutz, Piotr Piecuch, Hsi-Wu Wong, Oluwayemisi O. Oluwole

Journal:

International Journal of Chemical Kinetics

Year:

2012

Language:

english

File:

PDF, 655 KB

english, 2012

19

Higher-order contributions to the intermolecular energy in the perturbation treatment of long-range forces in the light of spherical tensor theory

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 687 KB

english, 1984

20

The non-additivity of long-range interactions in second-order perturbation theory in the light of spherical tensor formalism

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 558 KB

english, 1984

21

Approximate account of connected quadruply excited clusters in multi-reference Hilbert space coupled-cluster theory. Application to planar H4 models

Piotr Piecuch, Robert Toboła, Josef Paldus

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 860 KB

english, 1993

22

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

23

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

24

State-selective multi-reference coupled-cluster theory using multi-configuration self-consistent-field orbitals. A model study on H8

Piotr Piecuch, Ludwik Adamowicz

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 729 KB

english, 1994

25

Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals

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

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 195 KB

english, 2006

26

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

27

Center-of-mass problem in truncated configuration interaction and coupled-cluster calculations

Robert Roth, Jeffrey R. Gour, Piotr Piecuch

Journal:

Physics Letters B

Year:

2009

Language:

english

File:

PDF, 195 KB

english, 2009

28

Non-iterative coupled-cluster methods employing multi-reference perturbation theory wave functions

Maricris D. Lodriguito, Karol Kowalski, Marta Włoch, Piotr Piecuch

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 274 KB

english, 2006

29

Intriguing accuracies of the exponential wave function expansions exploiting finite two-body correlation operators in calculations for many-electron systems

Peng-Dong Fan, Piotr Piecuch

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 230 KB

english, 2006

30

A comparison of the renormalized and active-space coupled-cluster methods: Potential energy curves of BH and F2

Karol Kowalski, Piotr Piecuch

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 145 KB

english, 2001

31

Excited-state potential energy curves of CH+: a comparison of the EOMCCSDt and full EOMCCSDT results

Karol Kowalski, Piotr Piecuch

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 178 KB

english, 2001

32

Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches

Piotr Piecuch, Stanisław A. Kucharski, Karol Kowalski, Monika Musiał

Journal:

Computer Physics Communications

Year:

2002

Language:

english

File:

PDF, 248 KB

english, 2002

33

Potential energy curves for the HF− and CH3F− anions: a coupled cluster study

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 3.54 MB

english, 1997

34

Parallelization of multi-reference coupled-cluster method

Piotr Piecuch, Joseph I. Landman

Journal:

Parallel Computing

Year:

2000

Language:

english

File:

PDF, 328 KB

english, 2000

35

Extension of the active-space equation-of-motion coupled-cluster methods to radical systems: The EA-EOMCCSDt and IP-EOMCCSDt approaches

Jeffrey R. Gour, Piotr Piecuch, Marta Włoch

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 311 KB

english, 2006

36

Biorthogonal method of moments of coupled-cluster equations: Alternative derivation, further considerations, and application to a model magnetic system

Piotr Piecuch, Jeffrey R. Gour, Marta Włoch

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 226 KB

english, 2008

37

Left-eigenstate completely renormalized equation-of-motion coupled-cluster methods: Review of key concepts, extension to excited states of open-shell systems, and comparison with electron-attached and ionized approaches

Piotr Piecuch, Jeffrey R. Gour, Marta Włoch

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 355 KB

english, 2009

38

Preface

Gerardo Delgado-Barrio, Jean Maruani, Piotr Piecuch, Erkki Brändas

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 39 KB

english, 2011

39

Invariance properties of the multipole expansion

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 234 KB

english, 1982

40

Orthogonally spin-adapted coupled-cluster equations involving singly and doubly excited clusters. Comparison of different procedures for spin-adaptation

Piotr Piecuch, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

1989

Language:

english

File:

PDF, 1.13 MB

english, 1989

41

On the solution of coupled-cluster equations in the fully correlated limit of cyclic polyene model

Piotr Piecuch, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 1.28 MB

english, 1991

42

Behavior of coupled cluster energy in the strongly correlated limit of the cyclic polyene model. Comparison with the exact results

Piotr Piecuch, Jiří Čížek, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 1.39 MB

english, 1992

43

MAPLE symbolic computation of the long-range many-body intermolecular potentials: Three-body induction forces between two atoms and a linear molecule

Journal:

International Journal of Quantum Chemistry

Year:

1993

Language:

english

File:

PDF, 1.58 MB

english, 1993

44

Coupled-Cluster approaches with an approximate account of triply and quadruply excited clusters: Implementation of the orthogonally spin-adapted CCD + ST(CCD), CCSD + T(CCSD), and ACPQ + ST(ACPQ) formalisms

Piotr Piecuch, Robert Toboła, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 1.30 MB

english, 1995

45

Orthogonally spin-adapted multi-reference Hilbert space coupled-cluster formalism: diagrammatic formulation

Piotr Piecuch, Josef Paldus

Journal:

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

Year:

1992

Language:

english

File:

PDF, 1.76 MB

english, 1992

46

Method of moments approach and coupled cluster theory

Karol Jankowski, Josef Paldus, Piotr Piecuch

Journal:

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

Year:

1991

Language:

english

File:

PDF, 1.19 MB

english, 1991

47

Coupled cluster approaches with an approximate account of triexcitations and the optimized inner projection technique

Piotr Piecuch, Josef Paldus

Journal:

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

Year:

1990

Language:

english

File:

PDF, 3.32 MB

english, 1990

48

Application of renormalized coupled-cluster methods to potential function of water

Piotr Piecuch, Marta Włoch, António J. C. Varandas

Journal:

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

Year:

2008

Language:

english

File:

PDF, 344 KB

english, 2008

49

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

50

The convergence of energy expansions for molecules in electrostatic fields: A linear‐response coupled‐cluster study

Piotr Piecuch, Josef Paldus

Journal:

Journal of Mathematical Chemistry

Year:

1997

Language:

english

File:

PDF, 220 KB

english, 1997

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