Marat Sibaev - Dissemin

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All papers authored by Marat Sibaev

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2020 Marat Sibaev

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, Frederick R. Manby

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, Peter J. Knowles

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Molecular second-quantized Hamiltonian: Electron correlation and non-adiabatic coupling treated on an equal footing

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This paper was not found in any repository, but could be made available legally by the author.

2018 Sergey V. Krasnoshchekov

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, Roman S. Schutski

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, Norman C. Craig

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, Marat Sibaev

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, Deborah L. Crittenden

Comparing the accuracy of perturbative and variational calculations for predicting fundamental vibrational frequencies of dihalomethanes

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2016 Marat Sibaev

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, Deborah L. Crittenden

Balancing accuracy and efficiency in selecting vibrational configuration interaction basis states using vibrational perturbation theory

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M. Sibaev

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, D. L. Crittenden

An efficient and numerically stable procedure for generating sextic force fields in normal mode coordinates

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Marat Sibaev

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, Deborah L. Crittenden

PyVCI: A flexible open-source code for calculating accurate molecular infrared spectra

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2015 Marat Sibaev

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, Deborah L. Crittenden

Quadratic Corrections to Harmonic Vibrational Frequencies Outperform Linear Models

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Marat Sibaev

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, Deborah L. Crittenden

The PyPES library of high quality semi-global potential energy surfaces

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