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Charge transfer in collisions of O+ with H and H+ with O

- P. Stancil, D. Schultz, M. Kimura, J.-P. Gu, G. Hirsch, R. Buenker
- Physics
- 1 December 1999

Cross sections and rate coefficients for total and fine-structure resolved charge transfer in collisions of O + with H and H + with O are presented for collision energies between 0.1 meV/u and 10… Expand

Individualized configuration selection in CI calculations with subsequent energy extrapolation

- R. Buenker, S. Peyerimhoff
- Physics
- 1 August 1974

A configuration selection method for CI calculations is discussed and applied in which the energy lowering produced in a secular equation by the addition of a given test species to a series of… Expand

Calculation of spin-forbidden radiative transitions using correlated wavefunctions: Lifetimes of b1Σ+, a1Δ states in O2, S2 and SO

- Rainer Klotz, C. Marian, S. Peyerimhoff, B. A. Hess, R. Buenker
- Chemistry
- 15 September 1984

Abstract The radiative lifetimes of the b 1 Σ + and a 1 Δ states of O 2 , S 2 and SO have been evaluated by perturbation expansions including 3 Σ g − , 1 Δ g , 1 Σ g + , 1 Π g , 3 Π g states for the… Expand

Charge Transfer in Collisions of C + with H and H + with C

- P. Stancil, C. Havener, +6 authors B. Zygelman
- Physics
- 1 August 1998

Charge transfer rate coefficients for collisions of C+ with H and H+ with C are presented for temperatures from 30,000 to 107 K and from 10 to 107 K, respectively. The rate coefficients were… Expand

Configuration interaction calculations for the N2 molecule and its three lowest dissociation limits

- W. Butscher, S. Shih, R. Buenker, S. Peyerimhoff
- Chemistry
- 15 December 1977

Abstract A series of multi-reference double-excitation CI calculations is reported for the N 2 molecule in its equilibrium conformation as well as for its three lowest dissociation limits 4 S + 4 S,… Expand

Charge transfer and electronic excitation in collisions of protons with water molecules below 10 keV

- Shogo Mada, Ken-nosuke Hida, +4 authors R. Buenker
- Physics
- 8 February 2007

Charge transfer and electronic excitation processes for H{sup +}+H{sub 2}O collisions are investigated theoretically below 10 keV. Molecular-orbital close-coupling approach is employed for scattering… Expand

Theoretical prediction of the potential curves for the lowest‐lying states of the CSi+ and Si2+ molecular ions

- C. Petrongolo, P. Bruna, S. Peyerimhoff, R. Buenker
- Chemistry
- 15 April 1981

Ab initio MRD–CI potential curves have been calculated for C2+ in its first 16 electronic states and vertical transition energies Tv have been computed for a number of higher‐lying species, all of… Expand

Photolysis of methanol at 185 nm: quantum mechanical calculations and product study

- R. Buenker, G. Olbrich, H. Schuchmann, B. Schuermann, C. Sonntag
- Chemistry
- 8 August 1984

The results of a series of CI calculations carried out in conjunction with new experimental investigations in order to study the photolysis of methanol in its /sup 1/(n-3s) excited state at 185 nm… Expand

Theoretical study of the ArH+ photodissociation.

- A. B. Alekseyev, H. Liebermann, R. Buenker
- Chemistry, Medicine
- Physical chemistry chemical physics : PCCP
- 19 September 2007

The multireference Spin-Orbit (SO) Configuration Interaction (CI) method in its Lambda-S Contracted SO-CI (LSC-SO-CI) version is employed to calculate potential energy curves for the ground and… Expand

Vibronic transition moments and line intensities for H2O

- Shenghai Wu, Y. Chen, +5 authors P. Jensen
- Physics
- 1 May 2004

Abstract Ab initio calculations of the electronic dipole moment components for the A 2 A 1 and X 2 B 1 electronic states and the electronic transition moment for the A 2 A 1 – X 2 B 1 transition of… Expand

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