Calculations of rovibrational energies and dipole transition intensities for polyatomic molecules using MULTIMODE

Stuart Carter; Amit R. Sharma; Joel M. Bowman; Pavel Rosmus; Riccardo Tarroni

doi:10.1063/1.3266577

Calculations of rovibrational energies and dipole transition intensities for polyatomic molecules using MULTIMODE

The Journal of Chemical Physics ◽

10.1063/1.3266577 ◽

2009 ◽

Vol 131 (22) ◽

pp. 224106 ◽

Cited By ~ 51

Author(s):

Stuart Carter ◽

Amit R. Sharma ◽

Joel M. Bowman ◽

Pavel Rosmus ◽

Riccardo Tarroni

Keyword(s):

Polyatomic Molecules ◽

Dipole Transition ◽

Rovibrational Energies

Download Full-text

Multimode calculations of rovibrational energies and dipole transition intensities for polyatomic molecules with torsional motion: Application to H2O2

The Journal of Chemical Physics ◽

10.1063/1.3604935 ◽

2011 ◽

Vol 135 (1) ◽

pp. 014308 ◽

Cited By ~ 17

Author(s):

Stuart Carter ◽

Amit R. Sharma ◽

Joel M. Bowman

Keyword(s):

Polyatomic Molecules ◽

Dipole Transition ◽

Torsional Motion ◽

Rovibrational Energies

Download Full-text

First-principles calculations of rovibrational energies, dipole transition intensities and partition function for ethylene using MULTIMODE

The Journal of Chemical Physics ◽

10.1063/1.4758005 ◽

2012 ◽

Vol 137 (15) ◽

pp. 154301 ◽

Cited By ~ 31

Author(s):

Stuart Carter ◽

Amit R. Sharma ◽

Joel M. Bowman

Keyword(s):

Partition Function ◽

First Principles ◽

Dipole Transition ◽

First Principles Calculations ◽

Rovibrational Energies

Download Full-text

MULTIMODE: A code to calculate rovibrational energies of polyatomic molecules

International Reviews in Physical Chemistry ◽

10.1080/0144235031000124163 ◽

2003 ◽

Vol 22 (3) ◽

pp. 533-549 ◽

Cited By ~ 342

Author(s):

Joel M. Bowman ◽

Stuart Carter ◽

Xinchuan Huang

Keyword(s):

Polyatomic Molecules ◽

Rovibrational Energies

Download Full-text

Multi-layer Lanczos iteration approach to calculations of vibrational energies and dipole transition intensities for polyatomic molecules

The Journal of Chemical Physics ◽

10.1063/1.4906492 ◽

2015 ◽

Vol 142 (4) ◽

pp. 044106 ◽

Cited By ~ 8

Author(s):

Hua-Gen Yu

Keyword(s):

Polyatomic Molecules ◽

Dipole Transition ◽

Lanczos Iteration ◽

Vibrational Energies

Download Full-text

Theoretical ROVibrational Energies (TROVE): A robust numerical approach to the calculation of rovibrational energies for polyatomic molecules

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2007.07.009 ◽

2007 ◽

Vol 245 (2) ◽

pp. 126-140 ◽

Cited By ~ 189

Author(s):

Sergei N. Yurchenko ◽

Walter Thiel ◽

Per Jensen

Keyword(s):

Numerical Approach ◽

Polyatomic Molecules ◽

Rovibrational Energies

Download Full-text

Collective hyperspherical coordinates for polyatomic molecules and clusters

Molecular Physics ◽

10.1080/00268970050177657 ◽

2000 ◽

Vol 98 (21) ◽

pp. 1763-1770 ◽

Cited By ~ 1

Author(s):

Vincenzo Aquilanti, Andrea Beddoni, Simonett

Keyword(s):

Polyatomic Molecules ◽

Hyperspherical Coordinates

Download Full-text

Collisionless Dissociation of Polyatomic Molecules in a Strong Infrared Laser Field, and Its Use for Separation of Isotopes

Uspekhi Fizicheskih Nauk ◽

10.3367/ufnr.0117.197511h.0568 ◽

1975 ◽

Vol 117 (11) ◽

pp. 568

Author(s):

Rafael V. Ambartsumyan ◽

V.S. Letokhov

Keyword(s):

Laser Field ◽

Infrared Laser ◽

Polyatomic Molecules ◽

Separation Of Isotopes

Download Full-text

Polyatomic molecules in a strong infrared field

Uspekhi Fizicheskih Nauk ◽

10.3367/ufnr.0134.198105b.0045 ◽

1981 ◽

Vol 134 (5) ◽

pp. 45 ◽

Cited By ~ 26

Author(s):

V.S. Letokhov ◽

A.A. Makarov

Keyword(s):

Polyatomic Molecules

Download Full-text

HIGH ACCURACY POTENTIAL ENERGY SURFACE, DIPOLE MOMENT SURFACE, ROVIBRATIONAL ENERGIES AND LINE LIST CALCULATIONS FOR 14NH3

Proceedings of the 72nd International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2017.tj06 ◽

2017 ◽

Author(s):

Phillip Coles ◽

Jonathan Tennyson ◽

Nikolay Zobov ◽

Roman Ovsyannikov ◽

Aleksandra Kyuberis ◽

...

Keyword(s):

Dipole Moment ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

High Accuracy ◽

Line List ◽

Surface Dipole ◽

Rovibrational Energies

Download Full-text

Erratum: Rotation‐Vibration Spectra of Diatomic and Simple Polyatomic Molecules with Long Absorbing Paths. IV. The Spectrum of Methyl Fluoroform (CH3CF3) from 19μ to 0.7μ

The Journal of Chemical Physics ◽

10.1063/1.1748363 ◽

1951 ◽

Vol 19 (6) ◽

pp. 794-795 ◽

Cited By ~ 3

Author(s):

R. D. Cowan ◽

G. Herzberg ◽

S. P. Sinha

Keyword(s):

Polyatomic Molecules ◽

Vibration Spectra

Download Full-text