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Many-Electron Effective Hamiltonians from Similarity Renormalization Group

Offered By: Institute for Pure & Applied Mathematics (IPAM) via YouTube

Tags

Quantum Mechanics Courses Differential Equations Courses Electronic Structure Theory Courses Excited States Courses

Course Description

Overview

Explore a comprehensive lecture on reducing the complexity of many-electron problems in quantum mechanics, focusing on applications to bond-breaking reactions, spin states, and excited states of molecules with near-degenerate electronic structures. Delve into the similarity renormalization group (SRG) and its integral version, the driven SRG, as powerful tools for diagonalizing operators and deriving robust electronic structure theories. Examine how these approaches overcome challenges associated with perturbative methods and provide numerically stable solutions for complex molecular systems. Through various examples, gain insights into the practical implementation and advantages of these techniques in addressing multireference problems in quantum chemistry.

Syllabus

Intro
Motivation
Challenges
Multireference theories
Example
General issues
Similarity renormalization group
Differential equation
Normal ordering
In practice
Parameters
Informalism
Multistate formalism


Taught by

Institute for Pure & Applied Mathematics (IPAM)

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