• Publications
  • Influence
Charge transfer in collisions of O+ with H and H+ with O
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 10Expand
Individualized configuration selection in CI calculations with subsequent energy extrapolation
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 ofExpand
Calculation of spin-forbidden radiative transitions using correlated wavefunctions: Lifetimes of b1Σ+, a1Δ states in O2, S2 and SO
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 theExpand
Charge Transfer in Collisions of C + with H and H + with C
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 wereExpand
Configuration interaction calculations for the N2 molecule and its three lowest dissociation limits
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
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 scatteringExpand
Theoretical prediction of the potential curves for the lowest‐lying states of the CSi+ and Si2+ molecular ions
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 ofExpand
Photolysis of methanol at 185 nm: quantum mechanical calculations and product study
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 nmExpand
Theoretical study of the ArH+ photodissociation.
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 andExpand
Vibronic transition moments and line intensities for H2O
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 ofExpand