Density functional theory of doped superfluid liquid helium and nanodroplets

Ancilotto, Francesco; Barranco, M.; Coppens, François; Eloranta, Jussi; Halberstadt, Nadine; Hernando, Alberto; Mateo, David; Pí, M.

doi:10.1080/0144235x.2017.1351672

Cited by 92 publications

(119 citation statements)

References 290 publications

(280 reference statements)

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“…[32]. energy delocalization of the He atoms [20,28,86,87]. The intensity distribution among the rotational-vibrational lines enables an accurate determination of the temperature in He droplets of 0.37 K [32][33][34].…”

Section: Single Molecules and Small Clustersmentioning

confidence: 99%

“…Over the years, the helium droplet community has published several reviews on vibrational and electronic spectroscopy, photoionization, and ultrafast dynamics [15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31]. Earlier spectroscopic studies revealed that embedded molecules, such as SF 6 [32] and OCS [33,34] undergo free rotation inside the droplets.…”

Section: Introductionmentioning

confidence: 99%

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Infrared spectroscopy in superfluid helium droplets

Verma

Tanyag

O’Connell

et al. 2018

Advances in Physics: X

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For more than two decades, encapsulation in superfluid helium nanodroplets has served as a reliable technique for probing the structure and dynamics of molecules and clusters at a low temperature of ≈0.37 K. Due to weak interactions between molecules and the host liquid helium, good spectral resolution can usually be achieved, making helium droplets an ideal matrix for spectroscopy in a wide spectral range from infrared to ultraviolet. Furthermore, rotational structure in the spectra of small molecules provides a unique probe for interactions with the superfluid on an atomic scale. This review presents a summary of results and a discussion of recent experimental developments in helium droplet spectroscopy with the emphasis laid on infrared studies. Initially, studies focused on single molecules and have been expanded to larger species, such as metal-molecular clusters, biomolecules, free radicals, ions, and proteins. ARTICLE HISTORY

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Section: Single Molecules and Small Clustersmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Infrared spectroscopy in superfluid helium droplets

Verma

Tanyag

O’Connell

et al. 2018

Advances in Physics: X

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“…Numerical studies of the systems listed above usually follow 'atomistic' approaches, such as path-integral [14][15][16] and diffusion [17][18][19] Monte Carlo, as well as density functional theory [20,21], where the many-body environment is modeled as a cluster of finite size in real space. These approaches make it challenging to reach the thermodynamic limit, are prone to systematic errors due to a discrete time step, while also providing only a limited insight into the angular momentum properties of the individual components of the many-particle system.…”

mentioning

confidence: 99%

Diagrammatic Monte Carlo Approach to Angular Momentum in Quantum Many-Particle Systems

2018

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We introduce a Diagrammatic Monte Carlo (DiagMC) approach to angular momentum properties of quantum many-particle systems possessing a macroscopic number of degrees of freedom. The treatment is based on a diagrammatic expansion that merges the usual Feynman diagrams with the angular momentum diagrams known from atomic and nuclear structure theory, thereby incorporating the non-Abelian algebra inherent to quantum rotations. Our approach is applicable at arbitrary coupling, is free of systematic errors and of finite size effects, and naturally provides access to the impurity Green function. We exemplify the technique by obtaining an all-coupling solution of the angulon model, however, the method is quite general and can be applied to a broad variety of systems in which particles exchange quantum angular momentum with their many-body environment.

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“…For example, the Orsay-Trento (OT) DFT can reproduce both static and dynamic response of superfluid helium at 0 K and it has been successfully employed in many applications. 33,34 Recently, OT-DFT was also used to model soliton propagation in superfluid helium to support the experimental observations. 29 In this work, we report on the properties of shock waves and bright solitons in bulk superfluid 4 He.…”

Section: Introductionmentioning

confidence: 99%

Study of shock waves and solitons in bulk superfluid He4

et al. 2019

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Properties of shock waves and solitons in superfluid 4 He were studied by time-resolved shadowgraph experiments and theoretical density functional theory calculations. Pressure estimates for shock waves and the bright soliton limit (0.2 MPa) were provided and compared with the semiclassical Rankine-Hugoniot theory. Overall, the shock wave amplitude-velocity relationship was observed to be linear at least up to 175 kg/m 3. At high amplitudes, the shock waves decay into sound waves in the wake as well as a bright soliton train in the front. This suggests that the experimental shadowgraph data in Phys. Rev. Lett. 120, 035302 (2018) corresponds to such a train structure rather than an individual bright soliton. With reference to theoretical calculations, a new approach based on accelerating wall embedded in the liquid is proposed for generating single solitons in superfluid helium. This process is also predicted to produce dark solitons in superfluid helium, which have not yet been observed experimentally. At low soliton amplitudes, collision with an exponentially repulsive wall results in nearly lossless reflection, which is accompanied by soliton inversion from dark to bright or bright to dark.

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Density functional theory of doped superfluid liquid helium and nanodroplets

Cited by 92 publications

References 290 publications

Infrared spectroscopy in superfluid helium droplets

Infrared spectroscopy in superfluid helium droplets

Diagrammatic Monte Carlo Approach to Angular Momentum in Quantum Many-Particle Systems

Study of shock waves and solitons in bulk superfluid He4

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