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1

Configuration interaction study including the effects of spin–orbit coupling for the electronic states of the LiX molecules (X = C, Si, Ge, Sn)

Rai-Constapel, Vidisha, Liebermann, Heinz-Peter, Alekseyev, Aleksey B., Buenker, Robert J.

Journal:

Molecular Physics

Year:

2011

Language:

english

File:

PDF, 498 KB

english, 2011

2

Complex configuration interaction calculations of the cross section for the dissociative electron attachment process e− + F2 → F → F + F− using the complex basis function method

Michael Honigmann, Robert J. Buenker, Heinz-Peter Liebermann

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 190 KB

english, 2012

3

Ab initioRelativistic CI Calculations of the Spectroscopic Constants and Transition Probabilities for the Low-Lying States of the BiOH/HBiO Isomers

Yang Khandogin, Aleksey B. Alekseyev, Heinz-Peter Liebermann, Gerhard Hirsch, Robert J. Buenker

Journal:

Journal of Molecular Spectroscopy

Year:

1997

Language:

english

File:

PDF, 297 KB

english, 1997

4

Theoretical study of the low-energy BiN spectrum

Aleksey B. Alekseyev, Heinz-Peter Liebermann, Robert J. Buenker, Gerhard Hirsch

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 531 KB

english, 1996

5

Theoretical study of the energies and lifetimes of the low-lying states of bismuth fluoride

Aleksey B. Alekseyev, Heinz-Peter Liebermann, Ihsan Boustani, Gerhard Hirsch, Robert J. Buenker

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.06 MB

english, 1993

6

Relativistic configuration interaction calculations of potential curves and radiative transition probabilities for the antimony fluoride molecule

Ihsan Boustani, Sachchida N. Rai, Heinz-Peter Liebermann, Aleksey B. Alekseyev, Gerhard Hirsch, Robert J. Buenker

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 765 KB

english, 1993

7

Spin-orbit configuration interaction study of the electronic spectrum of antimony iodide

Kalyan K. Das, Aleksey B. Alekseyev, Heinz-Peter Liebermann, Gerhard Hirsch, Robert J. Buenker

Journal:

Chemical Physics

Year:

1995

Language:

english

File:

PDF, 837 KB

english, 1995

8

Ab initio CI study of the electronic spectrum of bismuth iodide employing relativistic effective core potentials

Aleksey B. Alekseyev, Kalyan K. Das, Heinz-Peter Liebermann, Robert J. Buenker, Gerhard Hirsch

Journal:

Chemical Physics

Year:

1995

Language:

english

File:

PDF, 858 KB

english, 1995

9

Multireference CI study of the potential curves and properties of positronic complexes of alkali hydrides

Robert J. Buenker, Heinz-Peter Liebermann, Masanori Tachikawa, Lukáš Pichl, Mineo Kimura

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2006

Language:

english

File:

PDF, 421 KB

english, 2006

10

Configuration interaction calculations of positron binding to molecular oxides and hydrides and its effect on spectroscopic constants

Robert J. Buenker, Heinz-Peter Liebermann

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2008

Language:

english

File:

PDF, 175 KB

english, 2008

11

A theoretical study of TeOH in its electronic ground state

Vidisha Rai-Constapel, Heinz-Peter Liebermann, Robert J. Buenker, Michael Honigmann, Per Jensen

Journal:

Journal of Molecular Spectroscopy

Year:

2007

Language:

english

File:

PDF, 267 KB

english, 2007

12

Thermodynamically stable diatomic dications: potential curves and radiative lifetimes for CaCl2+ including relativistic effects

James S. Wright, David J. Carpenter, Aleksey B. Alekseyev, Heinz-Peter Liebermann, Rainer Lingott, Robert J. Buenker

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 415 KB

english, 1997

13

New tricycloalternarenes produced by the phytopathogenic fungus Alternaria alternata

Ralph-Peter Nussbaum, Wolfgang Günther, Stephan Heinze, Bernd Liebermann

Journal:

Year:

1999

Language:

english

File:

PDF, 163 KB

english, 1999

14

Relativistic configuration interaction calculations of the potential curves and radiative lifetimes of the low-lying states of bismuth nitride

Aleksey B Alekseyev, Heinz-Peter Liebermann, Gerhard Hirsch, Robert J Buenker

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 225 KB

english, 1997

15

Low-energy spectrum of the thermodynamically stable BaI2+ dication

Aleksey B. Alekseyev, Heinz-Peter Liebermann, Rainer M. Lingott, Robert J. Buenker, James S. Wright

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

1999

Language:

english

File:

PDF, 128 KB

english, 1999

16

Ab initio CI calculations of the potential curves and nonadiabatic coupling matrix elements for collisions of protons with the ethylene molecule

Sachchida N. Rai, Heinz-Peter Liebermann, Robert J. Buenker, Mineo Kimura

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 178 KB

english, 2003

17

Configuration interaction calculations of annihilation rates for positronic complexes of alkali hydrides

Robert J. Buenker, Heinz-Peter Liebermann

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2009

Language:

english

File:

PDF, 296 KB

english, 2009

18

AsH3 ultraviolet photochemistry: An ab initio view

Alekseyev, Aleksey B., Buenker, Robert J., Liebermann, Heinz–Peter

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 707 KB

english, 2012

19

Ab initio study of the positronation of the CaO and SrO molecules including calculation of annihilation rates

Robert J. Buenker, Heinz-Peter Liebermann

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 1.38 MB

english, 2012

20

Theoretical study of the electronic structure of carbon dioxide: Bending potential curves and generalized oscillator strengths

Buenker, Robert J., Honigmann, Michael, Liebermann, Heinz-Peter, Kimura, Mineo

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 370 KB

english, 2000

21

Configuration interaction calculations of potential curves and annihilation rates for positronic complexes of alkali monoxides

Buenker, Robert J., Liebermann, Heinz-Peter

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.82 MB

english, 2009

22

Potential energy surfaces for ground and excited electronic states of the CF3I molecule and their relevance to its A-band photodissociation

Alekseyev, Aleksey B., Liebermann, Heinz-Peter, Buenker, Robert J.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.35 MB

english, 2013

23

Charge transfer and electronic excitation in collisions of protons with water molecules below

Mada, Shogo, Hida, Ken-nosuke, Kimura, Mineo, Pichl, Lukáš, Liebermann, Heinz-Peter, Li, Yan, Buenker, Robert J.

Journal:

Physical Review A

Year:

2007

Language:

english

File:

PDF, 1001 KB

english, 2007

24

The spectrum of antimony hydride: An ab initio configuration interaction study employing a relativistic effective core potential

Alekseyev, Aleksey B., Liebermann, Heinz-Peter, Lingott, Rainer M., Bludský, Ota, Buenker, Robert J.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 414 KB

english, 1998

25

The Wuppertal multireference configuration interaction (MRD-CI) program system

Buenker, Robert J., Phillips, Robin A., Krebs, Stefan, Liebermann, Heinz-Peter, Alekseyev, Aleksey B., Funke, Peter

Journal:

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

Year:

2014

Language:

english

File:

PDF, 279 KB

english, 2014

26

Positron Binding Energies for Alkali Hydrides

Buenker, Robert J., Liebermann, Heinz-Peter, Melnikov, Vladlen, Tachikawa, Masanori, Pichl, Lukas, Kimura, Mineo

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 171 KB

english, 2005

27

Ab Initio Spin−Orbit Configuration Interaction Calculations for High-Lying States of the HeNe Quasimolecule

Buenker, Robert J., Liebermann, Heinz-Peter, Devdariani, Alexander Z.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 512 KB

english, 2007

28

Long-lived diatomic dications: potential curves and radiative lifetimes for CaBr2+ and CaI2+ including relativistic effects

ALEKSEYEV, ALEKSEY B., LIEBERMANN, HEINZ-PETER, LINGOTT, RAINER, BUENKER, ROBERT J.

Journal:

Molecular Physics

Year:

1997

Language:

english

File:

PDF, 312 KB

english, 1997

29

Analysis of the Effect of Spin−Orbit Coupling on the Electronic Structure and Excitation Spectrum of the Bi 22- Anion in (K-crypt) 2 Bi 2 on the Basis of Relativistic Electronic Structure Calculations

Dai, Dadi, Whangbo, Myung-Hwan, Ugrinov, Angel, Sevov, Slavi C., Wang, Fan, Li, Lemin, Villesuzanne, Antoine, Alekseyev, Aleksey B., Liebermann, Heinz-Peter, Buenker, Robert J.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 231 KB

english, 2005

30

Ab Initio MRD-CI Study of the Spectrum of the TeO Molecule Employing Relativistic Effective Core Potentials †

Rai-Constapel, Vidisha, Liebermann, Heinz-Peter, Buenker, Robert J., Rai, Sachchida N.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 152 KB

english, 2006

31

Spin–orbit configuration interaction study of the ultraviolet photofragmentation of XeH+

Alekseyev, Aleksey B., Liebermann, Heinz-Peter, Buenker, Robert J.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 207 KB

english, 2008

32

Theoretical study of the ArH+ photodissociation

Alekseyev, Aleksey B., Liebermann, Heinz–Peter, Buenker, Robert J.

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 935 KB

english, 2007

33

Spin–orbit configuration interaction study of the potential energy curves and radiative lifetimes of the low-lying states of bismuth hydride

Alekseyev, Aleksey B., Buenker, Robert J., Liebermann, Heinz-Peter, Hirsch, Gerhard

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.39 MB

english, 1994

34

Ab initio configuration interaction calculations of the potential curves and lifetimes of the low-lying electronic states of the lead dimer

Das, Kalyan K., Liebermann, Heinz-Peter, Buenker, Robert J., Hirsch, Gerhard

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 490 KB

english, 1996

35

Ab initio calculations on electronic states of CaOH

Theodorakopoulos, Giannoula, Petsalakis, Ioannis D., Liebermann, Heinz-Peter, Buenker, Robert J., Koput, Jacek

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 409 KB

english, 2002

36

Electronic states and transitions of bismuth sulfide

Lingott, Rainer M., Liebermann, Heinz-Peter, Alekseyev, Aleksey B., Buenker, Robert J.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 398 KB

english, 1999

37

Charge transfer for the ground state O[sup +]([sup 4]S) ion in collisions with H[sub 2] molecules

Pichl, Lukáš, Li, Yan, Liebermann, Heinz-Peter, Buenker, Robert J., Kimura, Mineo

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 436 KB

english, 2003

38

Nonadiabatic effects in the lowest 0[sup +]([sup 3]P) ion-pair states of CIF

Kokh, Daria B., Li, Yan, Buenker, Robert J., Alekseyev, Aleksey B., Liebermann, Heinz-Peter, Alekseev, Vadim A.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 353 KB

english, 2001

39

collisions between 0.5 and

Suno, Hiroya, Rai, Sachchida N., Liebermann, Heinz-Peter, Buenker, Robert J., Kimura, Mineo, Pichl, Lukáš

Journal:

Physical Review A

Year:

2006

Language:

english

File:

PDF, 146 KB

english, 2006

40

High-resolution photoelectron spectroscopy of HI and DI: Experimental and theoretical analysis of the A [sup 2]Σ[sup +] ion system

Yencha, Andrew J., Baltzer, Peter, Cormack, Andrew J., Li, Yan, Liebermann, Heinz-Peter, Alekseyev, Aleksey B., Buenker, Robert J.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 321 KB

english, 2003

41

Relativistic configuration interaction study of the low-lying electronic states of Bi2

Das, Kalyan K., Liebermann, Heinz-Peter, Buenker, Robert J., Hirsch, Gerhard

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 555 KB

english, 1995

42

Potential energy curves and dipole transition moments for electronic states of ArHe and HeNe

Petsalakis, Ioannis D., Theodorakopoulos, Giannoula, Liebermann, Heinz-Peter, Buenker, Robert J.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 327 KB

english, 2001

43

molecules at energies below

Kusakabe, Toshio, Gotanda, Kazushi, Kimura, Mineo, Rai, Sachchida N., Liebermann, Heinz-Peter, Buenker, Robert J.

Journal:

Physical Review A

Year:

2007

Language:

english

File:

PDF, 226 KB

english, 2007

44

collisions between 0.5 and

Suno, Hiroya, Rai, Sachchida N., Liebermann, Heinz-Peter, Buenker, Robert J., Kimura, Mineo, Janev, R. K.

Journal:

Physical Review A

Year:

2004

Language:

english

File:

PDF, 108 KB

english, 2004

45

Positron binding to alkali-metal hydrides: The role of molecular vibrations

Gianturco, Franco A., Franz, Jan, Buenker, Robert J., Liebermann, Heinz-Peter, Pichl, Lukáš, Rost, Jan-Michael, Tachikawa, Masanori, Kimura, Mineo

Journal:

Physical Review A

Year:

2006

Language:

english

File:

PDF, 294 KB

english, 2006

46

Use of relativistic effective core potentials in calculating the electronic spectrum of the antimony dimer

Das, Kalyan K., Liebermann, Heinz-Peter, Hirsch, Gerhard, Buenker, Robert J.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 593 KB

english, 1995

47

Relativistic configuration interaction study of the ClF molecule and its emission spectra from 0+ ion-pair states

Alekseyev, Aleksey B., Liebermann, Heinz-Peter, Buenker, Robert J., Kokh, Daria B.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 432 KB

english, 2000

48

Complex multireference configuration interaction calculations employing a coupled diabatic representation for the [sup 2]Π[sub g] resonance states of N[sub 2]−]

Honigmann, Michael, Buenker, Robert J., Liebermann, Heinz-Peter

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 693 KB

english, 2009

49

regime

Suzuki, Reiko, Rai, Sachchida N., Liebermann, Heinz-Peter, Buenker, Robert J., Pichl, Lukáš, Kimura, Mineo

Journal:

Physical Review A

Year:

2005

Language:

english

File:

PDF, 372 KB

english, 2005

50

regime

Suzuki, Reiko, Rai, Sachchida N., Liebermann, Heinz-Peter, Buenker, Robert J., Pichl, Lukáš, Kimura, Mineo

Journal:

Physical Review A

Year:

2005

Language:

english

File:

PDF, 412 KB

english, 2005