Brainscape's Knowledge GenomeTM


Top Flashcards (Certified)
All Flashcards

CH413:Advanced Computational Chemistry 3

This class was created by Brainscape user Tim Lafosse. Visit their profile to learn more about the creator.

By: Tim Lafosse
Start Studying

Decks in this class (5)

Lecture 1: BOA, coordinate systems
• Understand the structure of the time-dependent Schrodinger equation and the challenges associated with its solution o Overview of the time-dependent Schrodinger equation o Derivation of the BOA o Investigation of how choice of coordinates influences the nuclear KE operator
14  cards
Lecture 2: Few dimensional systems, Discrete variable representation, SOFT
• Develop insight into a range of methods for solving the Schrodinger equation in few-dimensions, including discrete variable representation and split-operator Fourier transform. o Investigate two methods for solving the TDSE for few-dimensional systems on single PESs o Investigate how the DVR method can be used to determine eigenstates allowing direct wavefunction propagation
17  cards
Lecture 3: Non-adiabatic dynamics
• Understand the theoretical basis of methods which are commonly used to solve the time-independent Schrodinger equation for many-atom systems. o Investigate the TDSEQ in the adiabatic and diabatic representations o Describe how diabatic states are preferable, but challenging to obtain
16  cards
Lecture 4 – Many- atom systems, AIMS and MCTDH
• Learning objectives o Understand the two methods for solving the TDSE for complex systems: AIMS and MCTDH
15  cards
Lecture 5 – frontier applications and developments
What sort of simulations are poss...,
Notes from paper 1 conclusion is ...,
Assume adiabatic and ignore elect...
7  cards

More about
CH413:Advanced Computational Chemistry 3

  • Class purpose General learning

Learn faster with Brainscape on your web, iPhone, or Android device. Study Tim Lafosse's CH413:Advanced Computational Chemistry 3 flashcards for their University of Warwick class now!

How studying works.

Brainscape's adaptive web mobile flashcards system will drill you on your weaknesses, using a pattern guaranteed to help you learn more in less time.

Learn more about spaced repetition

Add your own flashcards.

Either request "Edit" access from the author, or make a copy of the class to edit as your own. And you can always create a totally new class of your own too!

What's Brainscape anyway?

Brainscape is a digital flashcards platform where you can find, create, share, and study any subject on the planet.

We use an adaptive study algorithm that is proven to help you learn faster and remember longer....

Looking for something else?

Comps
  • 24 decks
  • 643 flashcards
  • 104 learners
Decks: Triploidy, Chromosomes, Lysosomal Storage Disorders, And more!
Advanced Higher Chemistry
  • 27 decks
  • 341 flashcards
  • 469 learners
Decks: Unit 1 Electromagnetic Radiation And Ato, Unit 1 Atomic Orbitals, Unit 1 Electronic Configurations And The, And more!
Computer Science
  • 33 decks
  • 1991 flashcards
  • 258 learners
Decks: 11 Processors, 11 Processors Extra, 12 Software, And more!
Find Flashcards
Make Flashcards
Brainscape helps you reach your goals faster, through stronger study habits.
© 2025 Bold Learning Solutions. Terms and Conditions