Optimal Basis Set for Electron Dynamics in Strong Laser Fields: The case of Molecular Ion H2+ Article Swipe
Marie Labeye
,
Felipe Zapata
,
Emanuele Coccia
,
Valérie Vëniard
,
Julien Toulouse
,
Jérémie Caillat
,
Richard Taïeb
,
Eleonora Luppi
·
YOU?
·
· 2018
· Open Access
·
· DOI: https://doi.org/10.1021/acs.jctc.8b00656
YOU?
·
· 2018
· Open Access
·
· DOI: https://doi.org/10.1021/acs.jctc.8b00656
A clear understanding of the mechanisms that control the electron dynamics in a strong laser field is still a challenge that requires interpretation by advanced theory. Development of accurate theoretical and computational methods, able to provide a precise treatment of the fundamental processes generated in the strong field regime, is therefore crucial. A central aspect is the choice of the basis for the wave function expansion. Accuracy in describing multiphoton processes is strictly related to the intrinsic properties of the basis, such as numerical convergence, computational cost, and representation of the continuum. By explicitly solving the 1D and 3D time-dependent Schrödinger equation for H2+ in the presence of an intense electric field, we explore the numerical performance of using a real-space grid, a B-spline basis, and a Gaussian basis (improved by optimal Gaussian functions for the continuum). We analyze the performance of the three bases for high-harmonic generation and above-threshold ionization for H2+. In particular, for high-harmonic generation, the capability of the basis to reproduce the two-center interference and the hyper-Raman phenomena is investigated.
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- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1021/acs.jctc.8b00656
- OA Status
- green
- Cited By
- 42
- References
- 77
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W2891613364
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W2891613364Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1021/acs.jctc.8b00656Digital Object Identifier
- Title
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Optimal Basis Set for Electron Dynamics in Strong Laser Fields: The case of Molecular Ion H2+Work title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2018Year of publication
- Publication date
-
2018-09-24Full publication date if available
- Authors
-
Marie Labeye, Felipe Zapata, Emanuele Coccia, Valérie Vëniard, Julien Toulouse, Jérémie Caillat, Richard Taïeb, Eleonora LuppiList of authors in order
- Landing page
-
https://doi.org/10.1021/acs.jctc.8b00656Publisher landing page
- Open access
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YesWhether a free full text is available
- OA status
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greenOpen access status per OpenAlex
- OA URL
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https://arxiv.org/pdf/1809.04879Direct OA link when available
- Concepts
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Basis function, Basis (linear algebra), Physics, Statistical physics, High harmonic generation, Wave function, Gaussian, Basis set, Ionization, Computational physics, Laser, Quantum mechanics, Computer science, Ion, Mathematics, Density functional theory, GeometryTop concepts (fields/topics) attached by OpenAlex
- Cited by
-
42Total citation count in OpenAlex
- Citations by year (recent)
-
2025: 7, 2024: 7, 2023: 8, 2022: 5, 2021: 7Per-year citation counts (last 5 years)
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77Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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| referenced_works | https://openalex.org/W2001563447, https://openalex.org/W2029629871, https://openalex.org/W2008964001, https://openalex.org/W2556617798, https://openalex.org/W2097421518, https://openalex.org/W2612281981, https://openalex.org/W2075278295, https://openalex.org/W2207423497, https://openalex.org/W2098848086, https://openalex.org/W1969113562, https://openalex.org/W2039812986, https://openalex.org/W2280505537, https://openalex.org/W2623392192, https://openalex.org/W2519811799, https://openalex.org/W2326907773, https://openalex.org/W1995151469, https://openalex.org/W2005088369, https://openalex.org/W2065561179, https://openalex.org/W2065462103, https://openalex.org/W2231944882, https://openalex.org/W1994710395, https://openalex.org/W2525571769, https://openalex.org/W2076861197, https://openalex.org/W2562674457, https://openalex.org/W2756463555, https://openalex.org/W2103818707, https://openalex.org/W2162870748, https://openalex.org/W2075480867, https://openalex.org/W2002574041, https://openalex.org/W2064671939, https://openalex.org/W1995493909, https://openalex.org/W2075950706, https://openalex.org/W2037481204, https://openalex.org/W2064185044, https://openalex.org/W2041066307, https://openalex.org/W1979316394, https://openalex.org/W2052947147, https://openalex.org/W1894623165, https://openalex.org/W2620507282, https://openalex.org/W2079499202, https://openalex.org/W2208968096, https://openalex.org/W2254683812, https://openalex.org/W2087109339, https://openalex.org/W2726706150, https://openalex.org/W2316147441, https://openalex.org/W2318219559, https://openalex.org/W2557272954, https://openalex.org/W2083177139, https://openalex.org/W1998841114, https://openalex.org/W2049474669, https://openalex.org/W2014970508, https://openalex.org/W2078609090, https://openalex.org/W2046880787, https://openalex.org/W1999972858, https://openalex.org/W1992416103, https://openalex.org/W2167657634, https://openalex.org/W2135455598, https://openalex.org/W2035188058, https://openalex.org/W2061382044, https://openalex.org/W1963796386, https://openalex.org/W2012393628, https://openalex.org/W2015542598, https://openalex.org/W2313553201, https://openalex.org/W2582477451, https://openalex.org/W2065877512, https://openalex.org/W2039893160, https://openalex.org/W2146343739, https://openalex.org/W2031507413, https://openalex.org/W2066455071, https://openalex.org/W2038736839, https://openalex.org/W2772673813, https://openalex.org/W4387024779, https://openalex.org/W3101062390, https://openalex.org/W2075621462, https://openalex.org/W2914676357, https://openalex.org/W3100910954, https://openalex.org/W1738124305 |
| referenced_works_count | 77 |
| abstract_inverted_index.A | 0, 52 |
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| abstract_inverted_index.in | 11, 44, 67, 104 |
| abstract_inverted_index.is | 16, 49, 55, 71, 172 |
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| abstract_inverted_index.provide | 35 |
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| abstract_inverted_index.multiphoton | 69 |
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| citation_normalized_percentile.is_in_top_10_percent | False |