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1

Ab initio calculation of molecular hydrogen electronic states’ properties: transition matrix elements among triplet electronic states

Spielfiedel *, A., Palmieri †, P., Mitrushenkov †, A. O.

Journal:

Molecular Physics

Year:

2004

Language:

english

File:

PDF, 838 KB

english, 2004

2

Quantum chemistry using the density matrix renormalization group II

Mitrushenkov, A. O., Linguerri, Roberto, Palmieri, Paolo, Fano, Guido

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 371 KB

english, 2003

3

Quantum chemistry using the density matrix renormalization group

Mitrushenkov, Alexander O., Fano, Guido, Ortolani, Fabio, Linguerri, Roberto, Palmieri, Paolo

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 313 KB

english, 2001

4

Vertical assembling-welding of large shell structures

Kudryashov, O N, Barabokhin, N S, Kazakov, V A, Bobrinskii, V I, Mitrushenkov, Yu I, Kudryashov, N O

Journal:

Welding International

Year:

1999

Language:

english

File:

PDF, 864 KB

english, 1999

5

Passing the several billions limit in FCI calculations on a mini-computer

Alexander O. Mitrushenkov

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 598 KB

english, 1994

6

Passing the several billion limit in FCI calculations on a mini-computer. A norm-consistent zero CI threshold estimate within the dynamic CI approach

Alexander O. Mitrushenkov, Yuri Yu. Dmitriev

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 325 KB

english, 1995

7

Vibrational magnetism of highly symmetric molecules: the molecular ion H+3

P.A. Bruan, A.O. Mitrushenkov, T.K. Rebane

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 644 KB

english, 1993

8

Calculation of the spin-rotational Hamiltonian including P- and P, T-odd weak interaction terms for HgF and PbF molecules

Yu.Yu. Dmitriev, Yu.G. Khait, M.G. Kozlov, L.N. Labzovsky, A.O. Mitrushenkov, A.V. Shtoff, A.V. Titov

Journal:

Physics Letters A

Year:

1992

Language:

english

File:

PDF, 451 KB

english, 1992

9

Renormalization of the second-order self-energy for a tightly bound atomic electron

L.N. Labzowsky, A.O. Mitrushenkov

Journal:

Physics Letters A

Year:

1995

Language:

english

File:

PDF, 624 KB

english, 1995

10

Second order loop after loop self-energy correction for few-electron multicharged ions

A. Mitrushenkov, L. Labzowsky, I. Lindgren, H. Persson, S. Salomonson

Journal:

Physics Letters A

Year:

1995

Language:

english

File:

PDF, 397 KB

english, 1995

11

Spin–orbit induced predissociation of the B2Σg− and 22Σg+ states of the O2+ ion

A. Mitrushenkov, P. Palmieri, G. Chambaud, P. Rosmus

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 181 KB

english, 2003

12

Effective core potential for pseudo-orbitals with nodes

A.V. Titov, A.O. Mitrushenkov, I.I. Tupitsyn

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 345 KB

english, 1991

13

Epstein-Nesbet second-order perturbation treatment of dynamical electron correlation and ground state potential energy curve of Cr2

Alexander O. Mitrushenkov, Paolo Palmieri

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 458 KB

english, 1997

14

Ab initio study of valence correlation satellites in photoelectron spectra of neon

Renato Colle, Alexander Mitrushenkov, Stefano Simonucci

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

2002

Language:

english

File:

PDF, 199 KB

english, 2002

15

The second-order electron self-energy counterterms in bound state QED

Leonti Labzowsky, Alexander Mitrushenkov, Valery Shelyuto, Gerhard Soff

Journal:

Physics Letters A

Year:

1998

Language:

english

File:

PDF, 582 KB

english, 1998

16

On the refinement of the anharmonic force field of BrNO

Paolo Palmieri, Cristina Puzzarini, Riccardo Tarroni, Alexander O. Mitrushenkov

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

1997

Language:

english

File:

PDF, 1.01 MB

english, 1997

17

A mutually consistent procedure for excitation energies and transition densities based on the extended Brillouin's theorem

Yuri Yu. Dmitriev, Alexander O. Mitrushenkov, Markus P. Fülscher, Björn O. Roos

Journal:

International Journal of Quantum Chemistry

Year:

1993

Language:

english

File:

PDF, 883 KB

english, 1993

18

Spin-orbit and spin-spin couplings in He2 and He2−

N. Bjerre, A. O. Mitrushenkov, P. Palmieri, P. Rosmus

Journal:

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

Year:

1998

Language:

english

File:

PDF, 172 KB

english, 1998

19

Adsorption and nonadiabatic processes in the photodesorption of molecular oxygen from the reduced TiO2 (110) surface

María Pilar De Lara-Castells, Alexander O. Mitrushenkov, Octavio Roncero, Jeffrey L. Krause

Journal:

Israel Journal of Chemistry

Year:

2005

Language:

english

File:

PDF, 2.49 MB

english, 2005

20

Energy levels of HCN[sup +] and DCN[sup +] in the vibronically coupled X [sup 2]Π and A [sup 2]Σ[sup +] states

Tarroni, Riccardo, Mitrushenkov, Alexander, Palmieri, Paolo, Carter, Stuart

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 437 KB

english, 2001

21

Efficient truncation strategies for multi-reference configuration interaction molecular energies and properties

Palmieri, Paolo, Tarroni, Riccardo, Mitrushenkov, Alexander O., Rettrup, Sten

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 318 KB

english, 1998

22

A multi reference configuration interaction study of the fine structure of the A2Πu←X2Σg+ transition of the Si2- anion

Palmieri, Paolo, Tarroni, Riccardo, Mitrushenkov, Alexander O., Thorsteinsson, Thorstein

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1998

Language:

english

File:

PDF, 116 KB

english, 1998

23

Ab initio calculation of molecular hydrogen electronic states’ properties: fine structure spin–spin constants

Spielfiedel *, A., Palmieri †, P., Mitrushenkov ‡, A. O.

Journal:

Molecular Physics

Year:

2004

Language:

english

File:

PDF, 695 KB

english, 2004

24

Second-order Epstein–Nesbet correction to ‘‘dynamic’’ configuration interaction energies

Mitrushenkov, A. O.

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 352 KB

english, 1996

25

Dissociation energies and heats of formation of NH and NH[sup +]

Tarroni, Riccardo, Palmieri, Paolo, Mitrushenkov, Alexander, Tosi, Paolo, Bassi, Davide

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 371 KB

english, 1997

26

Counterterms for the second-order electron self-energy in bound-state QED

Labzowsky, Leonti, Mitrushenkov, Alexander, Shelyuto, Valery, Soff, Gerhard

Journal:

Physical Review A

Year:

1998

Language:

english

File:

PDF, 79 KB

english, 1998

27

Renormalization of the second-order electron self-energy for a tightly bound atomic electron: A detailed derivation

Labzowsky, L. N., Mitrushenkov, A. O.

Journal:

Physical Review A

Year:

1996

Language:

english

File:

PDF, 277 KB

english, 1996

28

Improved calculation of spin-dependent properties for internally contracted multireference configuration interaction wavefunctions

MITRUSHENKOV, ALEXANDER, PALMIERI, PAOLO, TARRONI, RICCARDO

Journal:

Molecular Physics

Year:

2003

Language:

english

File:

PDF, 407 KB

english, 2003

29

Numerical techniques for the evaluation of non-adiabatic interactions and the generation of quasi-diabatic potential energy surfaces using configuration interaction methods

Mitrushenkov, Alexander O., Palmieri, Paolo, Puzzarini, Cristina, Tarroni, Riccardo

Journal:

Molecular Physics

Year:

2000

Language:

english

File:

PDF, 327 KB

english, 2000

30

Second-order QED corrections for few-electron heavy ions: reducible Breit-Coulomb correction and mixed self-energy-vacuum polarization correction

I. Lindgren, H. Persson, S. Salomonson, V. Karasiev, L. Labzowsky, A. Mitrushenkov, M. Tokman

Year:

1993

Language:

english

File:

PDF, 291 KB

english, 1993

31

Spin-dependent and Coriolis interactions by an improved configuration interaction treatment: predissociation of excited fine structure levels of OH/OD

De Lara Castells, Maria Pilar, Mitrushenkov, Alexander O., Palmieri, Paolo, Le Quèrè, Frèdèric, Leonard, Cèline, Rosmus, Pavel

Journal:

Molecular Physics

Year:

2000

Language:

english

File:

PDF, 533 KB

english, 2000

32

A new configuration interaction algorithm for electron-spindependent properties

By ALEXANDER O. MITRUSHENKOV and PA,

Journal:

Molecular Physics

Year:

1997

Language:

english

File:

PDF, 425 KB

english, 1997

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