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1

Clifford algebra and unitary group formulations of the many-electron problem

Josef Paldus, Bogumil Jeziorski

Journal:

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

Year:

1988

Language:

english

File:

PDF, 1.15 MB

english, 1988

2

Valence bond approach exploiting Clifford algebra realization of Rumer–Weyl basis

Xiangzhu Li, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 1.46 MB

english, 1992

3

Unitary group tensor operator algebras for many-electron systems: I. Clebsch-Gordan and Racah coefficients

Xiangzhu Li, Josef Paldus

Journal:

Journal of Mathematical Chemistry

Year:

1990

Language:

english

File:

PDF, 3.30 MB

english, 1990

4

Origin of the first Hund rule and the structure of Fermi holes in two-dimensional He-like atoms and two-electron quantum dots

Sako, Tokuei, Paldus, Josef, Ichimura, Atsushi, Diercksen, Geerd H F

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2012

Language:

english

File:

PDF, 1.54 MB

english, 2012

5

Explicit representation of Gel'fand–Tsetlin states in clifford algebra unitary group approach

Xiangzhu Li, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

1989

Language:

english

File:

PDF, 602 KB

english, 1989

6

Unitary group tensor operator algebras for many-electron systems. III. Matrix elements in U(n1+n2) ⊃ U(n1) × U(n2) partitioned basis

Xiangzhu Li, Josef Paldus

Journal:

Journal of Mathematical Chemistry

Year:

1993

Language:

english

File:

PDF, 2.01 MB

english, 1993

7

Unitary group tensor operator algebras for many-electron systems: II. One- and two-body matrix elements

Xiangzhu Li, Josef Paldus

Journal:

Journal of Mathematical Chemistry

Year:

1993

Language:

english

File:

PDF, 2.73 MB

english, 1993

8

Symmetry-breaking in the independent particle model: nature of the singular behavior of Hartree–Fock potentials

Paldus, Josef, Sako, Tokuei, Li, Xiangzhu, Diercksen, Geerd H. F.

Journal:

Journal of Mathematical Chemistry

Year:

2013

Language:

english

File:

PDF, 1.34 MB

english, 2013

9

: Calculation of exponentially small terms and asymptotics

Cížek, Jiří, Damburg, Robert J., Graffi, Sandro, Grecchi, Vincenzo, Harrell, Evans M., Harris, Johathan G., Nakai, Sachiko, Paldus, Josef, Propin, Rafail Kh., Silverstone, Harris J.

Journal:

Physical Review A

Year:

1986

Language:

english

File:

PDF, 5.12 MB

english, 1986

10

: Analyticity, Summability, Asymptotics, and Calculation of Exponentially Small Terms

Damburg, Robert J., Propin, Rafail Kh., Graffi, Sandro, Grecchi, Vincenzo, Harrell, Evans M., Čížek, Jiří, Paldus, Josef, Silverstone, Harris J.

Journal:

Physical Review Letters

Year:

1984

Language:

english

File:

PDF, 250 KB

english, 1984

11

General-model-space state-universal coupled-cluster theory: Connectivity conditions and explicit equations

Li, Xiangzhu, Paldus, Josef

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 349 KB

english, 2003

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

Angular correlation in He and He-like atomic ions: A manifestation of the genuine and conjugate Fermi holes

Sako, Tokuei, Paldus, Josef, Diercksen, Geerd H. F.

Journal:

Physical Review A

Year:

2014

Language:

english

File:

PDF, 1.33 MB

english, 2014

14

Asymptotics of high-order perturbation theory for the one-dimensional anharmonic oscillator by quasisemiclassical methods

Silverstone, Harris J., Harris, Jonathan G., Čížek, Jirí, Paldus, Josef

Journal:

Physical Review A

Year:

1985

Language:

english

File:

PDF, 993 KB

english, 1985

15

Bond length alternation in cyclic polyenes. VII. Valence bond theory approach

Xiangzhu Li, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 1.28 MB

english, 1996

16

Unitary-group-based open-shell coupled-cluster method with corrections for connected triexcited clusters. I. Theory

Xiangzhu Li, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 194 KB

english, 1998

17

Size dependence of the X1Ag→11Bu excitation energy in linear polyenes

Xiangzhu Li, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 325 KB

english, 1999

18

Algebraic solutions for point groups: Cubic groups G in the group chain G⊃T⊃D2⊃C2

Jin-Quan Chen, Peng-Dong Fan, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 450 KB

english, 2000

19

Effect of spin contamination on the prediction of barrier heights by coupled-cluster theory: F+H2→HF+H reaction

Xiangzhu Li, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 486 KB

english, 2000

20

Reciprocal adjustment of approximate coupled cluster and configuration interaction approaches

Josep Planelles, Guillermo Peris, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 222 KB

english, 2000

21

Truncated version of the reduced multireference coupled-cluster method with perturbation selection of higher than pair clusters

Xiangzhu Li, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 252 KB

english, 2000

22

Direct iterative solution of the generalized Bloch equation. V. Application to N2

Holger Meissner, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 301 KB

english, 2000

23

Multidimensional interpolation by polynomial roots

John W. Downing, Josef Michl, Jití Cˇízˇek, Josef Paldus

Journal:

Chemical Physics Letters

Year:

1979

Language:

english

File:

PDF, 275 KB

english, 1979

24

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

25

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

26

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

27

Computation of ionization potentials using the unitary group based open-shell coupled-cluster theory

Xiangzhu Li, Josef Paldus

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 766 KB

english, 1994

28

Valence bond description of spin properties of π-conjugated systems

Xiangzhu Li, Paldus Josef

Journal:

Chemical Physics

Year:

1996

Language:

english

File:

PDF, 1.42 MB

english, 1996

29

Singlet–triplet separation in BN and C2: Simple yet exceptional systems for advanced correlated methods

Xiangzhu Li, Josef Paldus

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 144 KB

english, 2006

30

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

31

Dissociation of N2 triple bond: a reduced multireference CCSD study

Xiangzhu Li, Josef Paldus

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 99 KB

english, 1998

32

Size extensivity of a general-model-space state-universal coupled-cluster method

Xiangzhu Li, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 143 KB

english, 2004

33

Preface: Proceedings of the Seventh European Workshop on Quantum Systems in Chemistry and Physics

Josef Paldus, Jiří Čížek

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 43 KB

english, 2004

34

Recursive generation of natural orbitals in a truncated orbital space

Xiangzhu Li, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 98 KB

english, 2005

35

Coupled-cluster approach to spontaneous symmetry breaking in molecules: The linear N3 radical

Xiangzhu Li, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 148 KB

english, 2008

36

Symmetry breaking in spin-restricted, open-shell Hartree–Fock wave functions

Xiangzhu Li, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 151 KB

english, 2009

37

Energetics of 1,n-didehydro-polyene diradicals and performance of reduced multireference coupled-cluster method

Xiangzhu Li, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 129 KB

english, 2009

38

Multireference coupled-cluster methods for ground and low-lying excited states. A benchmark illustration on CH + potentials

Xiangzhu Li, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 172 KB

english, 2010

39

A pattern calculus for the unitary group approach to the electronic correlation problem

Journal:

International Journal of Quantum Chemistry

Year:

1975

Language:

english

File:

PDF, 449 KB

english, 1975

40

Numerical estimates of the convergence of the Rayleigh-Schrödinger perturbation expansions for the energy levels of various models of the benzene molecule

Alain Pellegatti, Jiří Čížek, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 223 KB

english, 1982

41

Convergence radii of the perturbation expansions for the ground-state energies of finite Hubbard models

Katsufumi Hashimoto, Jiří Čížek, Josef Paldus

Journal:

International Journal of Quantum Chemistry

Year:

1988

Language:

english

File:

PDF, 452 KB

english, 1988

42

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

43

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

44

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

45

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

46

Unitary group approach to spin-adapted open-shell coupled cluster theory

Bogumił Jeziorski, Josef Paldus, Piotr Jankowski

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 2.21 MB

english, 1995

47

Generalized Hückel treatment of a simple model of transannular interaction and excimer formation

Rudolf Polák, Josef Paldus

Journal:

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

Year:

1966

Language:

english

File:

PDF, 465 KB

english, 1966

48

Anab initiomodel calculation of the π and σ electronic structure of the ethylene molecule

Rudolf Polák, Josef Paldus

Journal:

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

Year:

1966

Language:

english

File:

PDF, 774 KB

english, 1966

49

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

50

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