Search results

1

Centrifugal Distortion Effect in Diatomic Molecules Described by Morse Potential

100%

Molski M.

Acta Physica Polonica A

|

1993

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vol. 83

|

issue 4

417-423

EN

An attempt at including the centrifugal distortion effect in description of the rovibrational states of diatomic systems with a molecular potential approximated by the Morse function is presented. The derived Schrödinger equation can be rigorously solved leading to the eigenvalues in the form of a continued fraction, which are applied for evaluation of the molecular constants and for prediction of the rovibrational spectra of the selected diatomic molecules giving quite satisfactory reproduction of the experimental data. A simple extension of the method developed, by assuming the rotational dependence of the dissociation constant, is also proposed.

2

Spectral Expansion of the Rovibrational Energy of Diatomic Molecules Described by Morse Potential

100%

Molski M.

|

EN

On the basis of the deformable body model and the Morse potential approximation a six-parametric spectral expansion of the rovibrational energy of diatomic molecules, competitive to the standard Dunham approach, is proposed. The considered formula takes into account the centrifugal distortion effect and anharmonic corrections, which permit investigation of the molecular spectra over a wide range of rotational and vibrational states.

3

Evaluation of Rotational g-Factor of ^{6}Li^{1}H and ^{6}Li^{2}H from Pure Rotational and Vibration-Rotational Spectra of LiH X^{1}Σ^{+}

100%

Molski M.

Acta Physica Polonica A

|

1997

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vol. 92

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issue 6

1117-1124

EN

A deformationally self-consistent procedure and dependent local parameters t_{0}^{Li}, t_{0}^{H} are applied to estimate the values of the rotational g-factor of ^{6}Li^{2}H g_{J=1} = -0. 279032(88) and ^{6}Li^{1}H g_{J=1} = -0.661020(32) in the rotational state J = 1, from pure rotational and vibration-rotational spectra of LiH X^{1} Σ^{+}.

4

Quantitative Analysis of Vibration-Rotational Spectra of Diatomic Molecules with (v,j)-Dependent Dynamical Reference Conformation. Application to LiH X^{1}Σ^{+}

100%

Molski M.

Acta Physica Polonica A

|

1999

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vol. 96

|

issue 6

713-723

EN

An extension of deformationally self-consistent approach to a quantitative analysis of adiabatic and nonadiabatic effects in vibration-rotational spectra of diatomic molecules is presented. We consider vibrational displacements of nuclei in the vicinity of dynamical reference conformation R_{vJ} that depends not only on the rotational quantum number J through the action of centrifugal force, but also on the vibrational v one, through nonadiabatic vibrational effects of high order. The method is applied to LiH X^{1}Σ^{+}; reported wave numbers of transitions are reproduced with σ̂=1.090 and F=5.98×10^{14} using 14 independently adjusted parameters and 14 constrained parameters t_{i=0-6}^{Li,H}, representing nonadiabatic rotational effects. The latter have been evaluated from the rotational g-factor and electric dipole moment of LiH, both electronically computed.

5

Diatomic Molecule as a Deformable Body

100%

Molski M.

Acta Physica Polonica A

|

1992

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vol. 81

|

issue 4-5

485-494

EN

On the basis of the deformable body model and harmonic potential approximation, a nonlinear Hamiltonian describing rovibrational states of diatomic molecules has been derived. The proposed approach is extended to include the Simons-Parr-Finlan potential, and the obtained equations are applied in evaluation of molecular constants and in reproduction of rovibrational spectra of the ^{1}Σ state of ^{12}C^{32}S, ^{13}C^{16}O and rotational spectra of ^{12}C^{16}O molecules. A comparison with the standard Dunham results is also made.

6

Modified Kratzer-Fues Formula for Rotation-Vibration Energy of Diatomic Molecules

63%

Molski M., Konarski J.

Acta Physica Polonica A

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1992

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vol. 82

|

issue 6

927-936

EN

An extension of the Kratzer-Fues approach to analytical calculation of the rotation-vibration energy of diatomic molecules is proposed. The eigen-values from this approach are applied in calculation of the rotational and rovibrational energies and in evaluation of molecular constants of selected diatomic molecules, resulting in satisfactory reproduction of experimental frequencies over a wide range of rotational states. In contrast to our previous proposition the rotational dependence of vibration energy is taken into account. An additional set of fitted parameters which include equilibrium distance and dissociation constant was also employed.

7

Expansion of the Rotational Energy of Diatomic Molecules into a Continued Fraction

63%

Molski M., Konarski J.

Acta Physica Polonica A

|

1992

|

vol. 81

|

issue 4-5

495-501

EN

A new expansion of the rotational energy of diatomic molecules, in the form of a continued fraction has been investigated. The considered formula is applied in calculation of molecular constants and reproduction of rotational spectra of rigid-, semirigid- and van der Waals-type molecules. A physical interpretation of semiempirical expansion parameters is proposed and a connection between the method considered and the Dunham approach is also discussed.

Refine search results

7 Acta Physica Polonica A

1 1999

1 1997

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3 1992

7 Molski M.

2 Konarski J.

Centrifugal Distortion Effect in Diatomic Molecules Described by Morse Potential

Spectral Expansion of the Rovibrational Energy of Diatomic Molecules Described by Morse Potential

Evaluation of Rotational g-Factor of ^{6}Li^{1}H and ^{6}Li^{2}H from Pure Rotational and Vibration-Rotational Spectra of LiH X^{1}Σ^{+}

Quantitative Analysis of Vibration-Rotational Spectra of Diatomic Molecules with (v,j)-Dependent Dynamical Reference Conformation. Application to LiH X^{1}Σ^{+}

Diatomic Molecule as a Deformable Body

Modified Kratzer-Fues Formula for Rotation-Vibration Energy of Diatomic Molecules

Expansion of the Rotational Energy of Diatomic Molecules into a Continued Fraction