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Computational Spectroscopy of Polyatomic Molecules
Buch von Sergey Yurchenko
Sprache: Englisch

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Beschreibung

This book provides a detailed description of the modern variational methods available for solving the nuclear motion Schrödinger equation to enable accurate theoretical spectroscopy of polyatomic molecules.

This book provides a detailed description of the modern variational methods available for solving the nuclear motion Schrödinger equation to enable accurate theoretical spectroscopy of polyatomic molecules.

Über den Autor

Sergey Yurchenko is a Professor of Physics in the Department of Physics and Astronomy at University College London (UCL), UK. He gained his PhD from Tomsk State University, Russia, in 1997 on the subject of molecular spectroscopy. He worked as a research associate with Per Jensen and Phillip Bunker, authors of the leading textbook on molecular symmetries. Prof. Yurchenko is an author of the open-source codes TROVE and Duo, which are among the main tools of today's computational spectroscopy and are used by the ExoMol project for building a database of opacities for molecules important for atmospheres of exoplanets and cool stars. Since 2011 he has been a member of staff of at UCL where he lectures and supervises Master's and PhD students.

Inhaltsverzeichnis

1. Introduction. 2. Coordinates Choice. 3. KEO: Coordinate Transformation. 4. KEO: Triatomic Molecules. 5. Basis Sets. 6. Symmetry-adapted Basis Sets. 7. Applications. Bibliography. Index.

Details
Erscheinungsjahr: 2023
Fachbereich: Theoretische Chemie
Genre: Chemie
Rubrik: Naturwissenschaften & Technik
Medium: Buch
Inhalt: Einband - fest (Hardcover)
ISBN-13: 9781498761192
ISBN-10: 1498761194
Sprache: Englisch
Einband: Gebunden
Autor: Yurchenko, Sergey
Hersteller: Taylor & Francis Inc
Maße: 184 x 263 x 18 mm
Von/Mit: Sergey Yurchenko
Erscheinungsdatum: 06.02.2023
Gewicht: 0,518 kg
Artikel-ID: 125751875
Über den Autor

Sergey Yurchenko is a Professor of Physics in the Department of Physics and Astronomy at University College London (UCL), UK. He gained his PhD from Tomsk State University, Russia, in 1997 on the subject of molecular spectroscopy. He worked as a research associate with Per Jensen and Phillip Bunker, authors of the leading textbook on molecular symmetries. Prof. Yurchenko is an author of the open-source codes TROVE and Duo, which are among the main tools of today's computational spectroscopy and are used by the ExoMol project for building a database of opacities for molecules important for atmospheres of exoplanets and cool stars. Since 2011 he has been a member of staff of at UCL where he lectures and supervises Master's and PhD students.

Inhaltsverzeichnis

1. Introduction. 2. Coordinates Choice. 3. KEO: Coordinate Transformation. 4. KEO: Triatomic Molecules. 5. Basis Sets. 6. Symmetry-adapted Basis Sets. 7. Applications. Bibliography. Index.

Details
Erscheinungsjahr: 2023
Fachbereich: Theoretische Chemie
Genre: Chemie
Rubrik: Naturwissenschaften & Technik
Medium: Buch
Inhalt: Einband - fest (Hardcover)
ISBN-13: 9781498761192
ISBN-10: 1498761194
Sprache: Englisch
Einband: Gebunden
Autor: Yurchenko, Sergey
Hersteller: Taylor & Francis Inc
Maße: 184 x 263 x 18 mm
Von/Mit: Sergey Yurchenko
Erscheinungsdatum: 06.02.2023
Gewicht: 0,518 kg
Artikel-ID: 125751875
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