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David W Schwenke

Showing results (1-10 of 25) with videos related to

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The Journal of Chemical Physics|April 17, 2015
A unified derivation of Hamiltonian and optical transition matrix elements for open shell diatomic and polyatomic molecules using transformation tools of modern quantum mechanicsDavid W Schwenke
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|May 7, 2002
Towards accurate ab initio predictions of the vibrational spectrum of methaneDavid W Schwenke
The Journal of Chemical Physics|March 1, 2023
Introducing MPEC: Massively parallel electron correlationDavid W Schwenke
The Journal of Chemical Physics|January 11, 2005
The extrapolation of one-electron basis sets in electronic structure calculations: how it should work and how it can be made to workDavid W Schwenke
The Journal of Chemical Physics|July 2, 2025
A better multi-reference Davidson correction for internally contracted and uncontracted multi-reference configuration interaction calculationsDavid W Schwenke
The Journal of Chemical Physics|February 3, 2025
Transport properties of N + N, O + O, N + O, C + O, C+ + O, C + N, and C + C using an accurate treatment of nonzero spin and electronic angular momentum and including spin-orbit interactionDavid W Schwenke
Molecules (Basel, Switzerland)|June 12, 2026
A 0.002 cm<sup>-1</sup>-Accurate PES for <sup>14</sup>N<sub>2</sub><sup>16</sup>OXinchuan Huang, David W Schwenke
Chemical Physics Letters|July 22, 2020
The low-lying electronic states of MgOCharles W Bauschlicher, David W Schwenke
The Journal of Chemical Physics|February 2, 2011
Rovibrational spectra of ammonia. II. Detailed analysis, comparison, and prediction of spectroscopic assignments for 14NH3, 15NH3, and 14ND3Xinchuan Huang, David W Schwenke, Timothy J Lee
The Journal of Chemical Physics|December 10, 2008
An accurate global potential energy surface, dipole moment surface, and rovibrational frequencies for NH(3)Xinchuan Huang, David W Schwenke, Timothy J Lee
Pageof 3

Showing results (1-10 of 25) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|April 17, 2015
A unified derivation of Hamiltonian and optical transition matrix elements for open shell diatomic and polyatomic molecules using transformation tools of modern quantum mechanicsDavid W Schwenke
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|May 7, 2002
Towards accurate ab initio predictions of the vibrational spectrum of methaneDavid W Schwenke
The Journal of Chemical Physics|March 1, 2023
Introducing MPEC: Massively parallel electron correlationDavid W Schwenke
The Journal of Chemical Physics|January 11, 2005
The extrapolation of one-electron basis sets in electronic structure calculations: how it should work and how it can be made to workDavid W Schwenke
The Journal of Chemical Physics|July 2, 2025
A better multi-reference Davidson correction for internally contracted and uncontracted multi-reference configuration interaction calculationsDavid W Schwenke
The Journal of Chemical Physics|February 3, 2025
Transport properties of N + N, O + O, N + O, C + O, C+ + O, C + N, and C + C using an accurate treatment of nonzero spin and electronic angular momentum and including spin-orbit interactionDavid W Schwenke
Molecules (Basel, Switzerland)|June 12, 2026
A 0.002 cm<sup>-1</sup>-Accurate PES for <sup>14</sup>N<sub>2</sub><sup>16</sup>OXinchuan Huang, David W Schwenke
Chemical Physics Letters|July 22, 2020
The low-lying electronic states of MgOCharles W Bauschlicher, David W Schwenke
The Journal of Chemical Physics|February 2, 2011
Rovibrational spectra of ammonia. II. Detailed analysis, comparison, and prediction of spectroscopic assignments for 14NH3, 15NH3, and 14ND3Xinchuan Huang, David W Schwenke, Timothy J Lee
The Journal of Chemical Physics|December 10, 2008
An accurate global potential energy surface, dipole moment surface, and rovibrational frequencies for NH(3)Xinchuan Huang, David W Schwenke, Timothy J Lee
Pageof 3