Quantum-defect analysis of npnpnp and ndndnd H3\rm{H_3}H3 Rydberg energy levels (original) (raw)
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Spectroscopy and multichannel quantum-defect theory analysis of the np Rydberg series of H3
Physical Review A, 1991
The lowest np Rydberg series of triatomic hydrogen has been studied using optica1-optical doubleresonance excitation from the metastable 2p A 2' level. Bound states, detected by field ionization as well as autoionizing states of the p series are characterized using rotational multichannel quantum-defect theory. Deviations from the calculations appear when vibrational interactions give rise to predissociation below threshold or autoionizing interlopers above threshold. The np Rydberg manifold of H3 provides an almost complete panorama of channel interactions in a polyatomic molecule: rotational and vi-brationa1 interactions and autoionization with rich Fano profile structure as well as predissociation.
Molecular Rydberg transitions. Multichannel approaches to electronic states: CH3I
Physical Review A, 1981
A multichannel quantum-defect theoretic (MQDT) analysis of the high-resolution vacuum-ultraviolet spectrum of CH3I in the energetic region below the first ionization limit is presented. The analysis is based upon, and substantiates a posteriori, quantumdefect analogies between Xe and CH3I: that is, only purely electronic molecular channels are allowed to interact. A new d series converging on the first ionization limit is assigned as a result of the MQDT analysis.
Physical Review A, 2012
This paper is dedicated to the implementation of a generalized approach for calculating quantum defects in high Rydberg states of polar molecules with an account for the dipole moment of the molecular core and l uncoupling of the Rydberg electron. Adiabatic (Born-Oppenheimer) and nonadiabatic (inverse Born-Oppenheimer) regions of the spectrum are considered. The nonadiabatic case with a nonzero projection of the core momentum on the core axis is considered and is illustrated by the example of the SO molecule.
Chemical Physics, 1996
Oscillator strengths and Einstein emission coefficients for NH4 and H2F Rydberg radicals have been calculated using the quantum defect orbital method. An estimate of the accuracy of this approach has been obtained by a comparison of the results with the data derived from more sophisticated ab initio methods. In several cases, in particular for H2F molecule, predictions of unknown transition probabilities have been given. The method proved to be a reliable and useful tool to estimate transition probabilities between molecular Rydberg states. Keywords: fiuoronium radical, ammonium radical, Rydberg states, electronic transitions, quantum defect orbital method. 0301-0104/96/$15.00 (~) 1996 Elsevier Science B.V. All rights reserved SSDI 030 1-0104(95)00370-3 1. Martin et al.
Quantum-mechanical calculations of the dissociation of H3 Rydberg states
The Journal of Chemical Physics, 1992
We present t.hree-dimensional, time-dependent quantum-mechanical calculations of the dynamics of the dissociation of H, Rydberg states at total energies up to 6 eV. The method used in this work employs a Chebychev propagator in time, and computes the kinetic-energy operators in the discrete variable representation. We calculate the total dissociation cross section, as well as partial vibrational and rotational cross sections, and compare our results to previous two-dimensional calculations and to experiment. The results display clear threedimensional effects, and indicate the importance of including both sheets of the H, ground potential-energy surf&ace in the dynamics.
A quantum-field theory approach to the calculation of energy levels in helium-like Rydberg atoms
Annals of Physics, 1987
We discuss the tine structure splitting of the energy levels in Rydberg states of helium or helium-like ions on the basis of quantum electrodynamics, using time-independent perturbation theory and the radiation gauge. For the zero-order description of the states we use products of Dirac-type wavefunctions. with shielding for the outer electron. The perturbing interaction includes the residual electrostatic potential, the interaction coming from the exchange of virtual photons, and the creation of virtual electron-positron pairs. It is shown that the level shifts for low-Z ions are given to high accuracy by a procedure followed previously.
Metastability and Rydberg States of Triatomic Hydrogen
Le Journal de Physique IV, 1991
The np,nd and nf Rydberg series of H3 have been studied by one-or twophoton excitation from the lowest metastable state of H3 : B 2p 24. The lifetime of the metastable state has been measured and the influence of an external electric field on the Rydberg states has been studied under both aspects of dynamics (field-ionization and fieldinduced predissociation) and structure (Stark effect).
Measurement of high Rydberg states and the ionization potential of H2
Physical Review A, 1989
We have measured numerous transitions from the E,F state of H2 to the singlet np Rydberg states with an accuracy of 0.01 cm '. The data have been analyzed to obtain values for the ionization potential of H2 relative to the v=0, N 0 and 1 levels of the E,F state. By combining these results with previous measurements of the E,F state, a value of 124417.524~0.015 cm ' is obtained for the ionization potential of H2. This result is in good agreement with previous work but nearly an order of magnitude more accurate, and is very close to the best theoretical value.
Multichannel quantum defect theory of photodissociation in H2
EPJ Web of Conferences, 2015
The predissociation profiles of the R(0), R(1) and R(2) lines of the 3p 1 + u , v = 3 ← X 1 + g , v = 0 absorption transition in H 2 are calculated in a multichannel quantum defect theory approach, implemented on the basis of state-of-the-art potential energy curves (PEC) from the Wolniewicz group. It is shown that the profiles may be very accurately represented by the Fano profile formula although the resonance parameters thus determined do not exactly coincide with the meaning given to them in Fano's original derivation. The recent high-resolution spectrum of the same transitions taken with the SOLEIL synchrotron is well reproduced by the calculations.