Near-degenerate systems in nuclear structure and quantum chemistry from ab-initio many-body methods

30 March -- 2 April    PROGRAM   ESNTworkshopQC&NP_march15.pdf     UPDATE: ESNTwQC&NPprog28mars15.pdf 

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Organizers:  C. Barbieri (Univ. of Surrey), T. Duguet (SPhN, ), R. J. Bartlett (Univ of Florida), G. E. Scuseria (Rice Univ., Texas).


The goals of the project are to:
1. bring together nuclear theorists and quantum chemists facing similar challenges regarding the description of open-shell systems,
2. present state-of-the-art methods based on multi-reference (MR) or symmetry-breaking-and-restoration schemes,
3. identify the optimal MR methods in terms of theory and application for various problems of interest in quantum chemistry and nuclear physics,
4. understand in what situation MR approaches are preferable to symmetry-breaking-and-restoration schemes and vice-versa.


Exposés -TALKS


A. Introductory lectures
1. C. A. Jiménez-Hoyos, Dpt. of chemistry, Rice Univ., Symmetry broken and restored mean-field theory     jimenez-hoyos.pdf   
2. S. Bogner, MSU, Introduction to in-medium similarity renormalization group methods     bogner.pdf
3. V. Somà, CEA-SPhN, Basics of self-consistent Green’s function theory     LectureSoma.pdf
4. R. J. Bartlett, Univ. of Florida, Basics of single-reference and multi-reference coupled cluster theory     bartlett.pdf


B. Talks

1. Multi-reference many-body theories
 H. Hergert, NSCL-MSU, Multi-reference in-medium similarity renormalization group theory for nuclei     hergert.pdf
 A. Koehn, Inst. for Theoretical Chemistry, Univ. of Stuttgart, Internally contracted multi-reference coupled-cluster theory      koehn.pdf

 M. Musial, Inst. of Chemistry, Univ. of Silesia, Fock space multi-reference coupled-cluster method      musial.pdf


2. Effective operators for ab-initio configuration interaction calculations
 J. D. Holt, TRIUMF, Non-perturbative shell-model interactions from the in-medium similarity renormalization group     holt.pdf
 G. Hagen, ORNL, Ab-initio coupled-cluster effective interactions for nuclei       hagen.pdf
 C. Barbieri, Univ. of Surrey, Three-body forces and chiral interaction Effective operators in Green’s function theory     barbieri.pdf

3. Symmetry-unrestricted many-body theories
 V. Somà, CEA-SPhN, Self-consistent Gorkov Green’s function theory for nuclei     TalkSoma.pdf
 A. Rios, Univ. Of Surrey, Green’s function for nuclear matter - correlations, equations of state and pairing gaps       rios.pdf
 T. M. Henderson, Rice Univ., Bogoliubov coupled cluster theory for the attractive pairing Hamiltonian     henderson.pdf
 A. Signoracci, ORNL, Univ of Tennessee, Bogoliubov coupled cluster theory for nuclei     signoracci.pdf

4. Symmetry- (broken and) restored many-body theories
 M. Bender, CENBG, Univ. Bordeaux, Symmetry-restored multi-reference mean-field theory for nuclei     bender.pdf
 T. Duguet, CEA-SPhN, Symmetry-restored coupled cluster formalism     duguet.pdf


5. Reaching excited states and/or neighboring systems
 P. Piecuch, MSU, Molecular systems from the equation-of-motion coupled-cluster theory     piecuch.pdf
 G. R. Jansen, Univ. Of Tennessee, ORNL, Near closed-shells nuclei from the equation-of-motion coupled-cluster theory     jansen.pdf


6. Additional flavors
 F. Evangelista, Dpt. of Chemistry, Emory Univ.,  The similarity renormalization group in quantum chemistry     evangelista.pdf
 J. Toulouse, Univ. P&M Curie, CNRS, Quantum Monte Carlo wave functions and their optimization for chemistry     toulouse.pdf
 G. E Scuseria, Rice Univ., Low-cost generalized coupled cluster models for strong and weak correlations     scuseria.pdf
 L. Reining, ETSF Palaiseau, A direct approach to the calculation of many-body Green’s functions     reining.pdf


C. Discussion sessions
Discussion 1: Multi-reference methods
Discussion 2: Symmetry broken and restored methods
Discussion 3: Possible cross-disciplinary projects between quantum chemistry and nuclear physics



Lectures Room 135   Workshop Room 135


30th March

    31st March


1st April


2nd April

09h15 Welcome          
9h30 C. A. Jimenez-Hoyos    9h30  H. Hergert   A. Signoracci   J. Toulouse
    10h15 Break    
10h45-11h15 Break   10h45 A. Koehn  T.M. Henderson   M. Bender

11h15 S. Bogner

  11h30 F. Evangelista G.E. Scuseria P. Piecuch
12h30 Lunch   12h15 Lunch  Lunch  Lunch

14h15 V. Somà

  14h00 C. Barbieri V. Somà G.R. Jansen
15h30 Break   14h45 J.D. Holt T. Duguet G. Hagen
16h00 R. J. Bartlett   15h30 Break Break Break
16h15-17h00   16h00 M. Musial  L. Reining A. Rios
17h15 End   16h45 Discussions  Discussions  Discussions
    18h00 End End End



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