Quantum Dynamics and Spectroscopy
A Summer Short Course on Quantum Dynamics and Spectroscopy ( Lectured in Chinese)
8 unitsThis is to be a short course of 8 lectures that provide a general overview of time-dependent quantum mechanics and approximation methods useful in descriptions of excitation energy transfer and electron transfer in condensed-phase molecular systems. A density-matrix approach will be emphasized, and the content will consist of developments of theoretical methods that have broad applications in physical chemistry. A time-dependent approach to linear spectroscopy and a brief introduction to nonlinear spectroscopy will also be presented.
This is to be a short course of 8 lectures that provide a general overview of time-dependent quantum mechanics and approximation methods useful in descriptions of excitation energy transfer and electron transfer problems in condensed-phase molecular systems. A density-matrix approach will be emphasized, and the content will consist of developments of theoretical methods that have broad applications in physical chemistry. A time-dependent approach to linear as well as nonlinear spectroscopy will be presented.
The course is designed to help students establish the basic capacity to carry out theoretical research in the field of quantum dynamics and spectroscopy.
Attendants should have been familiar with notions of time-independent quantum mechanics such as
* Time-independent Schrodinger equation & simple quantum systems
* Dirac notation & basics of matrix mechanics
* Operators, second quantization notations
Each meeting will be about 2 hours, and the lectures will focus on covering the principle theoretical ideas in each topic listed in the following:
- Time-dependent perturbation theory
- Fermi's golden rule and density matrix formalism
- System-bath model and quantum master equations
- Time-correlation functions (8/19, 2:00PM, Rm. 121)
- Redfield theory for excitation energy transfer & electron transfer
- Time-domain description of linear spectroscopy
- Introduction to nonlinear spectroscopy
- Two-dimensional electronic spectroscopy
Schatz & Ratner's "Quantum Mechanics in Chemistry" by George C. Schatz (Author), Mark A. Ratner (Author)
Publisher: Dover Publications
ISBN: 978-0486420035
Week | Topics | Reference |
---|---|---|
0 | Prerequisites: Attendants should have been familiar with notions of time-independent quantum mechanics such as * Time-independent Schrodinger equation & simple quantum systems * Dirac notation & basics of matrix mechanics * Operators, second quantization notations |
|
1 | Time-dependent perturbation theory * Time-dependent Schrodinger equation * "Pictures" of quantum dynamics * Interaction picture & time-dependent perturbation theory |
|
2 | Fermi's golden rule and density matrix formalism * Fermi's Golden Rule * Ensemble & averaging in chemical physics * Density matrix formalism * Two-level system: eigenvalues, eigenvectors, time evolution, and thermal equilibrium. |
|
3 | System-bath model and quantum master equations * System-bath model & Thermal average * Cumulant expansion & Gaussian fluctuation approximation * Formal derivation of a time-local quantum master equation |
|
4 | Time-correlation Functions * Quantum time-correlation functions * Properties of time-correlation functions * Example: position-position TCF for harmonic oscillators. |
|
5 | Redfield theory for excitation energy transfer & electron transfer * Frenkel exciton Hamiltonian * Driving force for excitation energy transfer & electron transfer * Time-local Markovian quantum master equation for EET (Redfield theory) * Population dynamics & detailed balance |
|
6 | Time-domain description of linear spectroscopy * Light-matter interactions * Lineshape function & linear absorption/emission spectrum * Displaced harmonic oscillator model * The energy-gap Hamiltonian |
|
7 | Introduction to nonlinear spectroscopy | |
8 | Two-dimensional electronic spectroscopy |
Lecture | Handout |
---|---|
Lecture 1 | Time-dependent perturbation theory |
Lecture 2 | Fermi's golden rule and density matrix formalism |
Lecture 3 | Condensed-phase Quantum Dynamics |
Lecture 4 | Time-correlation functions |
Lecture 5 | Redfield theory for excitation energy transfer & electron transfer |
Lecture 6 | Time-domain Description of Linear Spectroscopy |
Lecture 7 | Nonlinear Spectroscopy |
Lecture 8 | Photon-echo & Two-dimensional Electronic Spectroscopy |
Lecture | Topic | length |
---|---|---|
Lecture 1 | Time-dependent perturbation theory | 1:43:26 |
Lecture 2 | Fermi's golden rule and density matrix formalism | 1:49:51 |
Lecture 3 | System-bath model and quantum master equations | 1:44:52 |
Lecture 4 | Time-correlation functions | 1:46:57 |
Lecture 5 | Redfield theory for excitation energy transfer & electron transfer | 2:17:42 |
Lecture 6 | Time-domain description of linear spectroscopy | 2:04:09 |
Lecture 7 | Introduction to nonlinear spectroscopy | 1:24:04 |
Lecture 8 | Two-dimensional electronic spectroscopy | 1:41:32 |
Lecture | Topics | Reference |
---|---|---|
Lecture 0 | Prerequisites |
|
Lecture 3 | Condensed-phase Quantum Dynamics |
|
Lecture 4 | Time-correlation functions |
|
Lecture 5 | Redfield theory for excitation energy transfer & electron transfer |
|
Lecture 6 | Time-domain Description of Linear Spectroscopy |
|
Lecture 7 | Nonlinear Spectroscopy |
|
Lecture 8 | Photon-echo & Two-dimensional Electronic Spectroscopy |
|
2019© Yuan-Chung Cheng's Research Group | 鄭原忠老師理論物理化學研究室
國立臺灣大學化學系 | Department of Chemistry, National Taiwan University