Presentations

Lam's lecture on transition state theory is here.

Lam's lecture on RRKM theory is here.

Lam's lecture on master equation methods is here.

Venue: Peter Taylor 60th Birthday Symposium: "Accurate Methods for Accurate Properties" (Zurich, June 2012)

Talk: Accurate Methods for Accurate Rate Constants: Rate Constants as a Property

Topic: SCTST and the oxidation of CO

Presented by: John

Download it from: here.

Venue: Department of Chemistry, University of Basel (Basel, June 2012)

Talk: NO₃: Insights from Theory

Topic: NO₃, KDC Hamiltonians, etc

Presented by: John

Download it from: here.

Venue: Molecular Spectroscopy Symposium (Columbus, June 2012)

Talk: Energy Levels of the Nitrate Radical Below 2000 cm^-1

Topic: NO₃, KDC Hamiltonians, photodetachment cross-sections, 1492

Presented by: John

Download it fro: here.

Venue: Gas Kinetics Conference (Boulder, June 2012)

Poster: Semi-Classical TST Calculations of Thermal Rates for H + CH₄ // H₂ + CH₃ Reactions

Presented by: Lam

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Venue: International Congress of Quantum Chemistry (ICQC) (Boulder, June 2012)

Poster: A Fully Spin-Adapted Approach to Closed-Shell CCSDTQ

Presented by: Devin

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Venue: International Congress of Quantum Chemistry (ICQC) (Boulder, June 2012)

Poster: Practical Limitations of the EOMDIP and EOMDEA-CC Methods

Presented by: Devin

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Venue: Molecular Spectroscopy Symposium (Columbus, June 2012)

Talk: Application of Equation-of-Motion Coupled Cluster Theory to Photodetachment Cross-Section Calculations

Presented by: Takatoshi

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Venue: Molecular Spectroscopy Symposium (Columbus, June 2012)

Talk: An ab initio Model Hamiltonian for the e'e' and e'e'' Singlet States of Si₃

Presented by: Devin

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Venue: ICQC Satellite Meeting: Coupled-Cluster Methods and Related Techniques

Talk: Cost Effective Relativistic Approaches for Coupled-Cluster Methods

Presented by: Lan

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Venue: Telluride Workshop: Dynamics on Multiple Potential Energy Surfaces (Telluride, July 2012)

Talk: Energy Levels of the Nitrate Radical Below 2000 cm^-1 and the Latest on the Columbus Band

Presented by: John

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Venue: McElvain Seminar at University of Wisconsin Madison

Talk: NO₃, My Longtime Nemesis and Teacher

Presented by: John

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Venue: Southwestern Theoretical Chemistry Meeting

Talk: Relativistic Theory for Chemical Shieldings

Presented by: Lan

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Venue: Sydney University Chemical Society

Talk: My Longterm Relationship with the NO₃ Molecule

Presented by: John

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Venue: Indiana University

Talk: My Longterm Relationship with the NO₃ Molecule (but with new stuff)

Presented by: John

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Venue: ACS National Meeting, New Orleans

Talk: Ab Initio Simulation of a Complicated Spectrum

Presented by: John

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Venue: MQM 2013, in Honor of Rod Bartlett

Poster: NCC: A new, non-orthogonally spin-adapted CCSDTQ program for closed shell systems

Presented by: Devin

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Venue: Molecular Spectroscopy Symposium (Columbus, June 2013)

Talk: Vibrational Constants for Triatomic Molecules from Fourth-Order Perturbation Theory

Presented by: Devin

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Venue: Molecular Spectroscopy Symposium (Columbus, June 2013)

Talk: Rotational and Rovibrational Constants for Triatomic Molecules from Fourth-Order Perturbation Theory

Presented by: Devin

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Venue: Molecular Spectroscopy Symposium (Columbus, June 2013)

Talk: Application of Fourth-Order Vibrational Perturbation Theory to Small Molecules

Presented by: Justin

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Venue: University of Chicago

Talk: High-Accuracy Quantum Chemistry: Application to Thermochemistry, Chemical Kinetics and Vibronic Spectroscopy

Presented by: John

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Venue: USC Tensor Workshop (Laguna Beach, CA, December 2013)

Talk: Quick Overview of Things

Presented by : John

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Venue: USC Tensor Workshop (Laguna Beach, CA, December 2013)

Talk: Aquarius: Scalability and Extensibility by Design

Presented by: Devin

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Venue: Helsinki Winter School in Theoretical Chemistry

Talk: Thoughts on Calculating Molecular Energy Levels: Vibrational Perturbation Theory

Presented by: John

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Venue: Helsinki Winter School in Theoretical Chemistry

Talk: Vibronic Coupling Effects in Photoelectron Spectroscopy

Presented by: John

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Venue: Sanibel Symposium (Sanibel 360)

Talk: Recent Adventures in Perturbation Theory

Presented by: John

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Venue: Sanibel Symposium (Sanibel 360)

Poster: Parallelizing Large-Scale Vibronic Calculations

Presented by: Scott

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Venue: Graduate Student Recruitment Weekend, UT

Talk: The Talk Which Has No Name

Presented by: John

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Venue: Telluride Workshop on Coupled-Cluster Theory

Talk: Some Miscellaneous Topics in EOM-CC/Spectroscopy: A Salad

Presented by: John

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Venue: Molecular Spectroscopy Symposium (Urbana, June 2015)

Talk: Ab Initio Calculation of the Photodetachment Spectrum of Methoxide

Presented by: Lan

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Venue: Molecular Spectroscopy Symposium (Urbana, June 2015)

Talk: Semiclassical Transition State Theory: A Playground for Vibrational Perturbation Theory

Presented by: John

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Venue: HRMS2015 (Dijon, France)

Talk: Accurate Simulation of Systems Containing Vibronic Coupling: A Low-Resolution Talk at a High-Resolution Meeting

Presented by: John

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Venue: Pacifichem15 (Honolulu, Hawaii)

Talk: EOM-CCXX (XX.NE.SD): Some Observations and Thoughts

Presented by: John

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Venue: Pacifichem15 (Honolulu, Hawaii)

Talk: Vibronic Simulation (with SO Coupling) of the Photodetachment Spectrum of Methoxy

Presented by: John

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Venue: Sanibel Symposium (St. Simons Island, Georgia)

Poster: A New "Better than CCSD" Method for EOM-CC Calculations

Presented by: Devin and John

Download it from: here.

Venue: Molecular Quantum Mechanics 2016 (Uppsala, Sweden)

Talk: Recent Advances in Equation-of-Motion Coupled Cluster Theory

Presented by: John

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Venue: 24th International Symposium on Gas Kinetics and Related Phenomena (York, UK)

Poster: HO + CH₄: ab initio Rate Constants and Kinetic Isotope Effects from Semi-Classical Transition State Theory and HEAT

Presented by: John Barker (collaborator)

Download it from: here.

Venue: 24th International Symposium on Gas Kinetics and Related Phenomena (York, UK)

Poster: A Theoretical Study of Ozonolysis of C₂H₄

Presented by: Lam

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Venue: International Symposium on Molecular Spectroscopy (Urbana, IL)

Talk: Equation-of-motion coupled-cluster calculations.of photodetachment cross sections for atomic negative ions across the periodic table.

Presented by: Takatoshi

Download it from: here.

Venue: International Symposium on Theoretical Chemical Physics (Grand Forks, ND)

Talk: The Ionization Potential of HOOH

Presented by: John

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Venue: Radicals in the Rockies

Talk: Something "New" in Thermochemistry, Simulating Electronic Spectra, a Little Quantum Chemistry (a salad)

Presented by: John

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Venue: Sanibel Symposium (St. Simons Island, Georgia)

Talk: Some Recent Advances in Equation of Motion Coupled-Cluster Theory

Presented by: John

Download it from: here.

Venue: Florida State University

Talk: Thermochemistry: Not as Boring as You Think

Presented by; John

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Venue: Boston Theoretical Lecture Series (BU, MIT, Harvard)

Talk: My Longterm Relationship with a Difficult Molecule

Presented by: John

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Venue: 38th Annual Center for Nonlinear Studies Meeting (Albuquerque, NM)

Talk: Analysis of the Potential Atmospheric Impact of the Oxidation of N₂O by OH

Presented by: Lam

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Venue: International Symposium on Molecular Spectroscopy (Urbana, IL)

Talk: The A²E’’ State of NO₃: New Vibronic Calculations

Presented by: John

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Venue: International Symposium on Molecular Spectroscopy (Urbana, IL)

Talk: Beyond VPTn-SCTST for Chemical Kinetics: Complex Scaling and Curvilinear Vibrational Self-Consistent Field Theory

Presented by: Bryan Changala

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Venue: Electron-vibrational Phenomena in Molecules and Solids (Santander, Spain)

Talk: The Theoretical Challenge of the A²E’’ State of NO₃: Stories from the Frontier

Presented by: John

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Venue: University of Georgia (Athens, GA)

Talk: Thermochemistry is Not Boring

Presented by: John

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Venue: University of Georgia (Athens, GA)

Talk: Ruminations on Vibronic Coupling

Presented by: John

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Venue: FAME meeting (Tampa, FL)

Talk: Pressure-Dependent Rate Constant Caused by Tunneling Effects: HO + HNO3 as an Example

Presented by: Lam

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Venue: FAME meeting (Tampa, FL)

Talk: Dangers of the SCF-level DBOC: NO and NO2 as Examples

Presented by: Thorpus

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Venue: MQM 2019 (Heidelberg, Germany)

Talk: Vibronic Coupling and Coupled-Cluster Theory

Presented by: John

Download it from: here.

Venue: University of Georgia (Athens, GA)

Talk: (Two part talk on NO₃)

Presented by: John

Download them from here: talk1 and talk2.

Venue: ACS Meeting (San Diego)

Talk: Computational Treatment of Jahn-Teller and Pseudo-Jahn-Teller Effects

Presented by: John

Download it from: here.

Venue: Horst Koeppel 70th Birthday Symposium (Heidelberg, Germany)

Talk: How Horst and the Heidelberg Group Taught A Foolish Young Man (Me) How To Think About Molecules

Presented by: John

Download it from: here.

Venue: MolSSI Workshop on Rovibrational Spectroscopy (Blacksburg, VA)

Talk: The Related Topic of Vibronic Coupling

Presented by: John

Download it from: here.

Venue: QUADMARTS Meeting (Rennes, France)

Talk: High-Accuracy Quantum Chemistry for Thermochemical and Kinetics Calculations +a little spectroscopy

Presented by: John

Download it from: here.

Venue: University of Georgia (Athens, GA)

Talk: Two Questions (title 2)

Presented by: John

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Venue: Sanibel Symposium (St. Simons Island, GA)

Talk: The Reaction of Methylidyne with Methane: Role of the Quartet Electronic State

Presented by: Lam

Download it from: here.