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Simulation of argon induced coupling coefficients of NH$_3$ doublets and their speed dependence
Franck Thibault
,
Alexandra Viel
,
Christian Boulet
Journal articles
hal-03880274v1
|
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Simulation of the photodetachment spectra of the nitrate anion (NO3-) in the B 2E' energy range and non-adiabatic electronic population dynamics of NO3
David M. G. Williams
,
Wolfgang Eisfeld
,
Alexandra Viel
Journal articles
hal-03740299v1
|
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Accurate quantum dynamics simulation of the photodetachment spectrum of the nitrate anion (NO3−) based on an artificial neural network diabatic potential model
Alexandra Viel
,
David M. G. Williams
,
Wolfgang Eisfeld
Journal articles
hal-03149863v1
|
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Subpercent agreement between ab initio and experimental collision-induced line shapes of carbon monoxide perturbed by argon
Grzegorz Kowzan
,
Hubert Cybulski
,
Piotr Wcisło
,
Michał Słowiński
,
Alexandra Viel
et al.
Journal articles
hal-02908662v1
|
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Fully quantum calculations of the line-shape parameters for the Hartmann-Tran profile: a CO-Ar case study
Grzegorz Kowzan
,
Piotr Wcisło
,
Michał Słowiński
,
Piotr Masłowski
,
Alexandra Viel
et al.
Journal articles
hal-02415292v2
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Quantum dynamics and geometric phase in E ⊗ e Jahn-Teller systems with general Cnv symmetry
Thomas Weike
,
David M. G. Williams
,
Alexandra Viel
,
Wolfgang Eisfeld
Journal articles
hal-02267828v1
|
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Diabatic neural network potentials for accurate vibronic quantum dynamics -The test case of planar NO3
David M. G. Williams
,
Wolfgang Eisfeld
,
Alexandra Viel
Journal articles
hal-02317939v1
|
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Large amplitude motion within acetylene–rare gas complexes hosted in helium droplets
Marc Briant
,
Alexandra Viel
,
Ephriem Mengesha
,
Marc-André Gaveau
,
Benoît Soep
et al.
Journal articles
hal-02443742v1
|
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NO3 full-dimensional potential energy surfaces and ground state vibrational levels revisited
Alexandra Viel
,
Wolfgang Eisfeld
Journal articles
hal-01725478v1
|
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Application of the spectral element method to the solution of the multichannel Schroedinger equation
Andrea Simoni
,
Alexandra Viel
,
Jean-Michel Launay
Journal articles
hal-01551686v1
|
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Vibronic eigenstates and the geometric phase effect in the 2 E″ state of NO 3
Wolfgang Eisfeld
,
Alexandra Viel
Journal articles
hal-01438322v1
|
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Feshbach resonances and weakly bound molecular states of boson-boson and boson-fermion NaK pairs
Alexandra Viel
,
Andrea Simoni
Journal articles
hal-01298490v1
|
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LiHe spectra from brown dwarfs to helium clusters
Nicole F. Allard
,
Akira Nakayama
,
Frank Stienkemeier
,
John F. Kielkopf
,
Grégoire Guillon
et al.
Journal articles
hal-00876511v1
|
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Full-dimensional diabatic potential energy surfaces including dissociation: The 2E″ state of NO3
Wolfgang Eisfeld
,
Olivier Vieuxmaire
,
Alexandra Viel
Journal articles
hal-01015469v1
|
|
Low temperature rate coefficients for vibrational relaxation of 3Σ+u Rb2 molecules by 3He and 4He atoms
Alexandra Viel
,
Jean-Michel Launay
Journal articles
hal-00988039v1
|
|
Excited Li and Na in He(n): influence of the dimer potential energy curves.
David Dell'Angelo
,
Grégoire Guillon
,
Alexandra Viel
Journal articles
hal-00909448v1
|
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Full dimension Rb2He ground triplet potential energy surface and quantum scattering calculations
Grégoire Guillon
,
Alexandra Viel
,
Jean-Michel Launay
Journal articles
hal-00909240v1
|
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Electronically excited rubidium atom in helium clusters and films. II. Second excited state and absorption spectrum
Markku Leino
,
Alexandra Viel
,
Robert E. Zillich
Journal articles
hal-00711625v1
|
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Theoretical study of Rb2 in He(N): potential energy surface and Monte Carlo simulations.
Grégoire Guillon
,
Alexandre Zanchet
,
Markku Leino
,
Alexandra Viel
,
Robert E Zillich
et al.
Journal articles
hal-00700162v1
|
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Multiconfigurational time-dependent Hartree calculations for tunneling splittings of vibrational states: Theoretical considerations and application to malonaldehyde
Thorsten Hammer
,
Maurício D. Coutinho-Neto
,
Alexandra Viel
,
Uwe Manthe
Journal articles
hal-00667038v1
|
|
Electronically excited rubidium atom in a helium cluster or film.
Markku Leino
,
Alexandra Viel
,
Robert E. Zillich
Journal articles
hal-00675262v1
|
|
Photoionization-induced dynamics of the ammonia cation studied by wave packet calculations using curvilinear coordinates
Alexandra Viel
,
Wolfgang Eisfeld
,
Christian R. Evenhuis
,
Uwe Manthe
Journal articles
hal-01118801v1
|
|
Linewidths of C2H2 perturbed by H2: experiments and calculations from an ab initio potential
Franck Thibault
,
Benoît Corretja
,
Alexandra Viel
,
Dionisio Bermejo
,
Raúl Z. Martínez
et al.
Journal articles
hal-01118793v1
|
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Blueshift and intramolecular tunneling of NH[sub 3] umbrella mode in [sup 4]He[sub n] clusters
Alexandra Viel
,
K. Birgitta Whaley
,
Richard J. Wheatley
Journal articles
hal-00908202v1
|
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The ground state tunneling splitting and the zero point energy of malonaldehyde: A quantum Monte Carlo determination
Alexandra Viel
,
Maurício D. Coutinho-Neto
,
Uwe Manthe
Journal articles
hal-00908276v1
|
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Modelization of the fragmentation dynamics of krypton clusters (Kr[sub n],n=2–11) following electron impact ionization
David Bonhommeau
,
Thomas Bouissou
,
Nadine Halberstadt
,
Alexandra Viel
Journal articles
hal-01118373v1
|
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Photoionization-induced dynamics of ammonia: Ab initio potential energy surfaces and time-dependent wave packet calculations for the ammonia cation
Alexandra Viel
,
Wolfgang Eisfeld
,
Stefanie Neumann
,
Wolfgang Domcke
,
Uwe Manthe
et al.
Journal articles
hal-01118375v1
|
|
Fragmentation dynamics of argon clusters (Ar[sub n], n=2 to 11) following electron-impact ionization: Modeling and comparison with experiment
David Bonhommeau
,
Nadine Halberstadt
,
Alexandra Viel
Journal articles
hal-01118374v1
|
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Fragmentation dynamics of ionized neon clusters (Ne[sub n],n=3–14) embedded in helium nanodroplets
David Bonhommeau
,
Nadine Halberstadt
,
Alexandra Viel
Journal articles
hal-01118372v1
|
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Dissociative ionization of neon clusters Ne[sub n], n=3 to 14: A realistic multisurface dynamical study
David Bonhommeau
,
Alexandra Viel
,
Nadine Halberstadt
Journal articles
hal-01118371v1
|
|
Higher order (A+E)⊗e pseudo-Jahn–Teller coupling
Wolfgang Eisfeld
,
Alexandra Viel
Journal articles
hal-01118370v1
|
|
Effects of higher order Jahn-Teller coupling on the nuclear dynamics
Alexandra Viel
,
Wolfgang Eisfeld
Journal articles
hal-01118365v1
|
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Fragmentation dynamics of ionized neon trimer inside helium nanodroplets: A theoretical study
David Bonhommeau
,
Alexandra Viel
,
Nadine Halberstadt
Journal articles
hal-01118368v1
|
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Photoinduced dynamics of ethene in the N, V, and Z valence states: A six-dimensional nonadiabatic quantum dynamics investigation
Alexandra Viel
,
Robert P. Krawczyk
,
Uwe Manthe
,
Wolfgang Domcke
Journal articles
hal-01118367v1
|
|
The ground state tunneling splitting of malonaldehyde: Accurate full dimensional quantum dynamics calculations
Maurício D. Coutinho-Neto
,
Alexandra Viel
,
Uwe Manthe
Journal articles
hal-01118369v1
|
|
Transition from Molecular Complex to Quantum Solvation in 4HeNOCS
Francesco Paesani
,
Alexandra Viel
,
Franco Gianturco
,
K. Birgitta Whaley
Journal articles
hal-01118305v1
|
|
Photoinduced dynamics of the valence states of ethene: A six-dimensional potential-energy surface of three electronic states with several conical intersections
Robert P. Krawczyk
,
Alexandra Viel
,
Uwe Manthe
,
Wolfgang Domcke
Journal articles
hal-01118362v1
|
|
Effects of molecular rotation on densities in doped [sup 4]He clusters
Mehul V. Patel
,
Alexandra Viel
,
Francesco Paesani
,
Patrick Huang
,
K. Birgitta Whaley
et al.
Journal articles
hal-01118297v1
|
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Structure and spectroscopy of doped helium clusters using quantum Monte Carlo techniques
Alexandra Viel
,
K. Birgitta Whaley
Journal articles
hal-01118364v1
|
|
The Sudden-Polarization Effect and its Role in the Ultrafast Photochemistry of Ethene
Alexandra Viel
,
Robert P. Krawczyk
,
Uwe Manthe
,
Wolfgang Domcke
Journal articles
hal-01118363v1
|
|
Theoretical study of the unusual potential energy curve of the A [sup 1]Σ[sup +] state of AgH
Henryk A. Witek
,
Dmitri G. Fedorov
,
Kimihiko Hirao
,
Alexandra Viel
,
Per-Olof Widmark
et al.
Journal articles
hal-01118248v1
|
|
Importance sampling in rigid body diffusion Monte Carlo
Alexandra Viel
,
Mehul V. Patel
,
Parhat Niyaz
,
K.Birgitta Whaley
Journal articles
hal-01118243v1
|
|
Quantum structure and rotational dynamics of HCN in helium clusters
Alexandra Viel
,
K. Birgitta Whaley
Journal articles
hal-01118230v1
|
|
The Jacobi–Wilson method: A new approach to the description of polyatomic molecules
Claude Leforestier
,
Alexandra Viel
,
Fabien Gatti
,
Claudio Muñoz
,
Christophe Iung
et al.
Journal articles
hal-01118225v1
|
|
Six-dimensional calculation of the vibrational spectrum of the HFCO molecule
Alexandra Viel
,
Claude Leforestier
Journal articles
hal-01117857v1
|
|
Parallel implementation of a pseudo-spectral calculation of molecular energy levels: Application to the water dimer (H O)
Philip Eggert
,
Alexandra Viel
,
Claude Leforestier
Journal articles
hal-01117858v1
|
|
Vector parametrization of the N-atom problem in quantum mechanics with non-orthogonal coordinates
Christophe Iung
,
Fabien Gatti
,
Alexandra Viel
,
Xavier Chapuisat
Journal articles
hal-01117507v1
|
|
Quantum mechanical calculation of the rate constant for the reaction H+O[sub 2]→OH+O
Alexandra Viel
,
Claude Leforestier
,
William H. Miller
Journal articles
hal-01117492v1
|