Journal of Physics Conference Series

Bound states of He(23S)+He(23P)

Daniel Cocks, Ian B. Whittingham, G. Peach

Published Nov 1, 2009• 0 citations

Abstract

We report the results of coupled channel calculations of the bound states of the He(2 3S1)+He(2 3P0,1,2) system using the recently available ab initio multi-configuration self-consistent field short range 1,3,5§+ g,u and 1,3,5¦g,u potentials computed by Deguilhem et al. (J. Phys. B: At. Mol. Opt. Phys. 42 (2009) 015102) and present an analysis of the applicability of the single channel calculations of these authors.

DOI: 10.1088/1742-6596/194/12/122005

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Journal of Physics Conference Series

Bound states of He(23S)+He(23P)

Daniel Cocks, Ian B. Whittingham, G. Peach

Published Nov 1, 2009• 0 citations

Publisher

Abstract

DOI: 10.1088/1742-6596/194/12/122005

Related papers

Effects of non-adiabatic and Coriolis couplings on the bound states of He(2 3 S)+He(2 3 P)

Daniel Cocks, I B Whittingham, G. Peach

The effects of non-adiabatic and Coriolis couplings on the bound states of the He(2 ^3S_1)+He(2 ^3P_j) system, where j=0,1,2, are investigated using the recently available ab initio short-range $^{1,3,5}Σ^+_{g,u}$ and $^{1,3,5}Π_{g,u}$ potentials computed by Deguilhem et al. (J. Phys. B: At. Mol. Opt. Phys. 42 (2009) 015102). Three sets of calculations have been undertaken: single-channel, multichannel without Coriolis couplings and full multichannel with Coriolis couplings. We find that non-adiabatic effects are negligible for $0^-_u,0^{\pm}_g,1_u,2_g,2_u,3_g$ Hund case (c) sets of levels in the j=2 asymptote but can be up to 15% for some of the $0^+_u$ and $1_g$ sets of levels where near degeneracies are present in the single-channel diagonalized potentials. Coriolis couplings are most significant for weakly bound levels, ranging from 1-5% for total angular momenta J=1,2 and up to 10% for J=3. Levels near the j=1 and j=0 asymptotes agree closely with previous multichannel calculations based upon long-range potentials constructed from retarded resonance dipole and dispersion interactions. Assignment of theoretical levels to experimental observations using criteria based upon the short-range character of each level and their coupling to metastable ground states produces well matched assignments for the majority of observations. After a 1% increase in the slope of the $^5Σ^+_{g,u}$ and $^5Π_{g,u}$ input potentials near the classical turning point is applied, improved matching of previous assignments is obtained and further assignments can be made, reproducing very closely the number of experimental observations.The effects of non-adiabatic and Coriolis couplings on the bound states of the He(2 ^3S_1)+He(2 ^3P_j) system, where j=0,1,2, are investigated using the recently available ab initio short-range $^{1,3,5}Σ^+_{g,u}$ and $^{1,3,5}Π_{g,u}$ potentials computed by Deguilhem et al. (J. Phys. B: At. Mol. Opt. Phys. 42 (2009) 015102). Three sets of calculations have been undertaken: single-channel, multichannel without Coriolis couplings and full multichannel with Coriolis couplings. We find that non-adiabatic effects are negligible for $0^-_u,0^{\pm}_g,1_u,2_g,2_u,3_g$ Hund case (c) sets of levels in the j=2 asymptote but can be up to 15% for some of the $0^+_u$ and $1_g$ sets of levels where near degeneracies are present in the single-channel diagonalized potentials. Coriolis couplings are most significant for weakly bound levels, ranging from 1-5% for total angular momenta J=1,2 and up to 10% for J=3. Levels near the j=1 and j=0 asymptotes agree closely with previous multichannel calculations based upon long-range potentials constructed from retarded resonance dipole and dispersion interactions. Assignment of theoretical levels to experimental observations using criteria based upon the short-range character of each level and their coupling to metastable ground states produces well matched assignments for the majority of observations. After a 1% increase in the slope of the $^5Σ^+_{g,u}$ and $^5Π_{g,u}$ input potentials near the classical turning point is applied, improved matching of previous assignments is obtained and further assignments can be made, reproducing very closely the number of experimental observations.

arXiv:0911.0237Journal of Physics B Atomic Molecular and Optical PhysicsJun 22, 20108 citations

Photoassociation spectroscopy of ultracold metastable He-3 dimers

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The bound states of the fermionic ^3He(2 ^3S_1)+ ^3He(2 ^3P_j)system, where j=0,1,2, are investigated using the recently available ab initio short-range ^{1,3,5}\Sigma^{+}_{g,u} and ^{1,3,5}\Pi_{g,u} potentials computed by Deguilhem et al. (J. Phys. B: At. Mol. Opt. Phys., 2009, 42, 015102). Single-channel and multichannel calculations have been undertaken in order to investigate the effects of Coriolis and non-adiabatic couplings. The possible experimental observability of the theoretical levels is assessed using criteria based upon the short-range character of each level and their coupling to metastable ground states. Purely long-range levels have been identified and 30 short-range levels near five asymptotes are suggested for experimental investigation.The bound states of the fermionic ^3He(2 ^3S_1)+ ^3He(2 ^3P_j)system, where j=0,1,2, are investigated using the recently available ab initio short-range ^{1,3,5}\Sigma^{+}_{g,u} and ^{1,3,5}\Pi_{g,u} potentials computed by Deguilhem et al. (J. Phys. B: At. Mol. Opt. Phys., 2009, 42, 015102). Single-channel and multichannel calculations have been undertaken in order to investigate the effects of Coriolis and non-adiabatic couplings. The possible experimental observability of the theoretical levels is assessed using criteria based upon the short-range character of each level and their coupling to metastable ground states. Purely long-range levels have been identified and 30 short-range levels near five asymptotes are suggested for experimental investigation.

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Photoassociation spectroscopy of ultracold metastable 3He dimers

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The bound states of the fermionic (3)He(2 (3)S(1)) + (3)He(2 (3)P(j)) system, where j = 0, 1, 2, are investigated using the recently available ab initio short-range (1,3,5)Σ(+)(g,u) and (1,3,5)Π(g,u) potentials computed by Deguilhem et al. (J. Phys. B: At., Mol. Opt. Phys., 2009, 42, 015102). Single-channel and multichannel calculations have been undertaken in order to investigate the effects of Coriolis and non-adiabatic couplings. The possible experimental observability of the theoretical levels is assessed using criteria based upon the short-range character of each level and their coupling to metastable ground states. Purely long-range levels have been identified and 30 short-range levels near five asymptotes are suggested for experimental investigation.The bound states of the fermionic (3)He(2 (3)S(1)) + (3)He(2 (3)P(j)) system, where j = 0, 1, 2, are investigated using the recently available ab initio short-range (1,3,5)Σ(+)(g,u) and (1,3,5)Π(g,u) potentials computed by Deguilhem et al. (J. Phys. B: At., Mol. Opt. Phys., 2009, 42, 015102). Single-channel and multichannel calculations have been undertaken in order to investigate the effects of Coriolis and non-adiabatic couplings. The possible experimental observability of the theoretical levels is assessed using criteria based upon the short-range character of each level and their coupling to metastable ground states. Purely long-range levels have been identified and 30 short-range levels near five asymptotes are suggested for experimental investigation.

arXiv:1104.3367Physical Chemistry Chemical PhysicsJan 1, 20112 citations

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B. Deguilhem, Thierry Leininger, Florent Xavier Gadéa +1 more

A new theoretical study for the photoassociation of metastable helium is presented, based on fully ab initio short-range potentials. Optimization of the exponents of the Gaussian orbitals of a smaller basis set than employed previously allowed the calculation of potentials dissociating to He(2 3 S)+He(2 3 P) at the multi-reference configuration interaction level down to internuclear separations of 3.5 a 0 . The good agreement with observed near-dissociation levels obtained previously using extrapolated short-range potentials is confirmed and almost all levels observed to the red of the He D 2 line, associated with the He 2 3 S + 2 3 P 2 dissociation limit, are assigned. The agreement is less satisfactory with the levels observed to the red of the He D 1 line, although vibrational levels have been found in the outer ultra-long-range well of a double-well potential with the He 2 3 P 1 dissociation limit. A semiclassical analysis is presented to explain the limited sensitivity of the near-dissociation binding energies to the short-range potential.A new theoretical study for the photoassociation of metastable helium is presented, based on fully ab initio short-range potentials. Optimization of the exponents of the Gaussian orbitals of a smaller basis set than employed previously allowed the calculation of potentials dissociating to He(2 3 S)+He(2 3 P) at the multi-reference configuration interaction level down to internuclear separations of 3.5 a 0 . The good agreement with observed near-dissociation levels obtained previously using extrapolated short-range potentials is confirmed and almost all levels observed to the red of the He D 2 line, associated with the He 2 3 S + 2 3 P 2 dissociation limit, are assigned. The agreement is less satisfactory with the levels observed to the red of the He D 1 line, although vibrational levels have been found in the outer ultra-long-range well of a double-well potential with the He 2 3 P 1 dissociation limit. A semiclassical analysis is presented to explain the limited sensitivity of the near-dissociation binding energies to the short-range potential.

Journal of Physics B Atomic Molecular and Optical PhysicsDec 16, 200812 citations

Purely-long-range bound states of He(2s3S)+He(2p3P)

V. Venturi, Paul J. Leo, Eite Tiesinga +2 more

We predict the presence and positions of purely-long-range bound states of ${}^{4}\mathrm{He}(2s{}^{3}{S)+}^{4}\mathrm{He}(2p{}^{3}P)$ near the $2s{}^{3}{S}_{1}+2p{}^{3}{P}_{0,1}$ atomic limits. The results of the full multichannel and approximate models are compared, and we assess the sensitivity of the bound states to atomic parameters characterizing the potentials. Photoassociation to these purely-long-range molecular bound states may improve the knowledge of the scattering length associated with the collisions of two ultracold spin-polarized ${}^{4}\mathrm{He}(2s{}^{3}S)$ atoms, which is important for the studies of Bose-Einstein condensates.We predict the presence and positions of purely-long-range bound states of ${}^{4}\mathrm{He}(2s{}^{3}{S)+}^{4}\mathrm{He}(2p{}^{3}P)$ near the $2s{}^{3}{S}_{1}+2p{}^{3}{P}_{0,1}$ atomic limits. The results of the full multichannel and approximate models are compared, and we assess the sensitivity of the bound states to atomic parameters characterizing the potentials. Photoassociation to these purely-long-range molecular bound states may improve the knowledge of the scattering length associated with the collisions of two ultracold spin-polarized ${}^{4}\mathrm{He}(2s{}^{3}S)$ atoms, which is important for the studies of Bose-Einstein condensates.

arXiv:physics/0305023Physical Review AAug 14, 200321 citations

Three-Body Bound State in He4

John M. Blatt, James N. Lyness, Sigurd Yves Larsen

The binding energy of three ${\mathrm{He}}^{4}$ atoms, subject to pair forces, is investigated numerically for a number of proposed intermolecular potentials and for a series of square wells. For some potentials a 3-body bound state is found, for others not. However, a direct correlation is found between 2-body and 3-body binding. The need for more accurate experimental data is discussed.The binding energy of three ${\mathrm{He}}^{4}$ atoms, subject to pair forces, is investigated numerically for a number of proposed intermolecular potentials and for a series of square wells. For some potentials a 3-body bound state is found, for others not. However, a direct correlation is found between 2-body and 3-body binding. The need for more accurate experimental data is discussed.

Physical ReviewSep 1, 19637 citations

The effects of non-adiabatic and Coriolis couplings on the bound states of the He(2 ^3S_1)+He(2 ^3P_j) system, where j=0,1,2, are investigated using the recently available ab initio short-range

^{1,3,5}Σ^+_{g,u}

and

^{1,3,5}Π_{g,u}

potentials computed by Deguilhem et al. (J. Phys. B: At. Mol. Opt. Phys. 42 (2009) 015102). Three sets of calculations have been undertaken: single-channel, multichannel without Coriolis couplings and full multichannel with Coriolis couplings. We find that non-adiabatic effects are negligible for

0^-_u,0^{\pm}_g,1_u,2_g,2_u,3_g

Hund case (c) sets of levels in the j=2 asymptote but can be up to 15% for some of the

0^+_u

and

1_g

sets of levels where near degeneracies are present in the single-channel diagonalized potentials. Coriolis couplings are most significant for weakly bound levels, ranging from 1-5% for total angular momenta J=1,2 and up to 10% for J=3. Levels near the j=1 and j=0 asymptotes agree closely with previous multichannel calculations based upon long-range potentials constructed from retarded resonance dipole and dispersion interactions. Assignment of theoretical levels to experimental observations using criteria based upon the short-range character of each level and their coupling to metastable ground states produces well matched assignments for the majority of observations. After a 1% increase in the slope of the

^5Σ^+_{g,u}

and

^5Π_{g,u}

input potentials near the classical turning point is applied, improved matching of previous assignments is obtained and further assignments can be made, reproducing very closely the number of experimental observations.

We predict the presence and positions of purely-long-range bound states of

{}^{4}\mathrm{He}(2s{}^{3}{S)+}^{4}\mathrm{He}(2p{}^{3}P)

near the

2s{}^{3}{S}_{1}+2p{}^{3}{P}_{0,1}

atomic limits. The results of the full multichannel and approximate models are compared, and we assess the sensitivity of the bound states to atomic parameters characterizing the potentials. Photoassociation to these purely-long-range molecular bound states may improve the knowledge of the scattering length associated with the collisions of two ultracold spin-polarized

{}^{4}\mathrm{He}(2s{}^{3}S)

atoms, which is important for the studies of Bose-Einstein condensates.

The binding energy of three

{\mathrm{He}}^{4}

atoms, subject to pair forces, is investigated numerically for a number of proposed intermolecular potentials and for a series of square wells. For some potentials a 3-body bound state is found, for others not. However, a direct correlation is found between 2-body and 3-body binding. The need for more accurate experimental data is discussed.