1,538 research outputs found
Towards quantum-chemical method development for arbitrary basis functions
We present the design of a flexible quantum-chemical method development
framework, which supports employing any type of basis function. This design has
been implemented in the light-weight program package molsturm, yielding a
basis-function-independent self-consistent field scheme. Versatile interfaces,
making use of open standards like python, mediate the integration of molsturm
with existing third-party packages. In this way both rapid extension of the
present set of methods for electronic structure calculations as well as adding
new basis function types can be readily achieved. This makes molsturm
well-suitable for testing novel approaches for discretising the electronic wave
function and allows comparing them to existing methods using the same software
stack. This is illustrated by two examples, an implementation of
coupled-cluster doubles as well as a gradient-free geometry optimisation, where
in both cases, an arbitrary basis functions could be used. molsturm is
open-source and can be obtained from https://molsturm.org.Comment: 15 pages and 7 figure
Hand in hand: automatic sign Language to English translation
In this paper, we describe the first data-driven automatic sign-language-to- speech translation system. While both sign language (SL) recognition and translation techniques exist, both use an intermediate notation system
not directly intelligible for untrained users. We combine a SL recognizing framework with a state-of-the-art phrase-based machine translation (MT) system, using corpora of both American Sign Language and Irish Sign Language
data. In a set of experiments we show the overall results and also illustrate the importance of including a
vision-based knowledge source in the development of a complete SL translation system
The ATIS sign language corpus
Systems that automatically process sign language rely on appropriate data. We therefore present the ATIS sign language corpus that is based on the domain of air travel information. It is available for five languages, English, German, Irish sign language, German sign language and South African sign language. The corpus can be used for different tasks like automatic statistical translation and automatic sign language recognition and it allows the specific modelling of spatial references in signing space
Π ΡΠ΄Π½Π°Ρ ΠΌΠΈΠ½Π΅ΡΠ°Π»ΠΈΠ·Π°ΡΠΈΡ ΠΠ³Π°ΡΠ΄Π°Π³ΡΠΊΠΎΠ³ΠΎ ΡΠ»ΡΡΡΠ°ΠΌΠ°ΡΠΈΡΠΎΠ²ΠΎΠ³ΠΎ ΠΌΠ°ΡΡΠΈΠ²Π° (Π Π΅ΡΠΏΡΠ±Π»ΠΈΠΊΠ° Π’ΡΠ²Π°)
ΠΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½Ρ ΠΎΡΠΎΠ±Π΅Π½Π½ΠΎΡΡΠΈ ΡΡΠ΄Π½ΠΎΠΉ ΠΌΠΈΠ½Π΅ΡΠ°Π»ΠΈΠ·Π°ΡΠΈΠΈ ΠΠ³Π°ΡΠ΄Π°Π³ΡΠΊΠΎΠ³ΠΎ ΡΠ»ΡΡΡΠ°ΠΌΠ°ΡΠΈΡΠΎΠ²ΠΎΠ³ΠΎ ΠΌΠ°ΡΡΠΈΠ²Π°, ΡΠ°ΡΠΏΠΎΠ»ΠΎΠΆΠ΅Π½Π½ΠΎΠ³ΠΎ Π² ΡΠ³ΠΎ-Π²ΠΎΡΡΠΎΡΠ½ΠΎΠΉ ΡΠ°ΡΡΠΈ Π Π΅ΡΠΏΡΠ±Π»ΠΈΠΊΠΈ Π’ΡΠ²Π°. ΠΠΎΠΊΠ°Π·Π°Π½Ρ ΡΠΈΠΏΠΎΠΌΠΎΡΡΠΈΠ·ΠΌ ΠΈ Ρ
ΠΈΠΌΠΈΡΠ΅ΡΠΊΠΈΠΉ ΡΠΎΡΡΠ°Π² ΠΌΠΈΠ½Π΅ΡΠ°Π»ΠΎΠ². ΠΠΎΠ»ΡΡΠ΅Π½Π½ΡΠ΅ Π΄Π°Π½Π½ΡΠ΅ ΠΏΠΎΠ·Π²ΠΎΠ»ΠΈΠ»ΠΈ ΡΡΡΠ°Π½ΠΎΠ²ΠΈΡΡ ΡΡΠ΅ΠΏΠ΅Π½Ρ ΡΠ°ΡΡΠΈΡΠ½ΠΎΠ³ΠΎ ΠΏΠ»Π°Π²Π»Π΅Π½ΠΈΡ ΠΈΡΡ
ΠΎΠ΄Π½ΠΎΠ³ΠΎ ΡΡΠ±ΡΡΡΠ°ΡΠ° ΠΈ ΡΠ΅ΠΌΠΏΠ΅ΡΠ°ΡΡΡΡ Π΅Π³ΠΎ ΠΌΠ΅ΡΠ°ΠΌΠΎΡΡΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ ΠΏΡΠ΅ΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΡ ΠΏΡΠΈ ΠΏΠ΅ΡΠ΅ΠΌΠ΅ΡΠ΅Π½ΠΈΠΈ ΠΈ ΠΊΠΎΠ½ΡΠΎΠ»ΠΈΠ΄Π°ΡΠΈΠΈ Π² Π·Π΅ΠΌΠ½ΠΎΠΉ ΠΊΠΎΡΠ΅. Π£Π΄Π°Π»ΠΎΡΡ ΠΏΡΠΎΡΠ»Π΅Π΄ΠΈΡΡ ΡΠ²ΠΎΠ»ΡΡΠΈΠΎΠ½Π½ΡΡ Π½Π°ΠΏΡΠ°Π²Π»Π΅Π½Π½ΠΎΡΡΡ ΠΈΠ·ΠΌΠ΅Π½Π΅Π½ΠΈΡ Ρ
ΠΈΠΌΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ ΡΠΎΡΡΠ°Π²Π° Ρ
ΡΠΎΠΌΡΠΏΠΈΠ½Π΅Π»ΠΈΠ΄ΠΎΠ² ΠΈ Π°ΡΡΠΎΡΠΈΠΈΡΡΡΡΠΈΡ
Ρ Π½ΠΈΠΌΠΈ ΡΡΠ»ΡΡΠΈΠ΄ΠΎΠ², ΠΊΠΎΡΠΎΡΠ°Ρ ΠΎΠΏΡΠ΅Π΄Π΅Π»ΡΠ΅ΡΡΡ ΡΡΠ»ΠΎΠ²ΠΈΡΠΌΠΈ ΠΈΡ
Π΄Π΅ΠΏΠ»Π΅ΡΠΈΡΠΎΠ²Π°Π½ΠΈΡ Π² Π²Π΅ΡΡ
Π½Π΅ΠΉ ΠΌΠ°Π½ΡΠΈΠΈ ΠΈ ΠΏΠΎΡΠ»Π΅Π΄ΡΡΡΠΈΠΌΠΈ ΠΌΠ΅ΡΠ°ΠΌΠΎΡΡΠΎΠ³Π΅Π½Π½ΡΠΌΠΈ ΠΏΡΠ΅ΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΡΠΌΠΈ
Quantum chemistry with Coulomb Sturmians:Construction and convergence of Coulomb Sturmian basis sets at the Hartree-Fock level
The first discussion of basis sets consisting of exponentially decaying
Coulomb Sturmian functions for modelling electronic structures is presented.
The proposed basis set construction selects Coulomb Sturmian functions using
separate upper limits to their principle, angular momentum and magnetic quantum
numbers. Their common Coulomb Sturmian exponent is taken as a fourth parameter.
The convergence properties of such basis sets are investigated for second and
third row atoms at the Hartree-Fock level. Thereby important relations between
the values of the basis set parameters and the physical properties of the
electronic structure are recognised. For example, an unusually large limit for
the angular momentum quantum number in unrestricted Hartree-Fock calculations
can be linked to the breaking of spherical symmetry in such cases. Furthermore,
a connection between the optimal, i.e. minimum-energy, Coulomb Sturmian
exponent and the average Slater exponents values obtained by Clementi and
Raimondi (E. Clementi and D. L. Raimondi, J. Chem. Phys. 38, 2686 (1963)) is
made. These features of Coulomb Sturmian basis sets emphasise their ability to
correctly reproduce the physical features of Hartree-Fock wave functions.Comment: 16 pages, 14 figures, supporting inf
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