Register Now!
Log In
Hello,
- Account Settings
Logout
Help

Advanced Search

Home
Browse All
My OER
Contribute

Home → OER Materials

Browse: Keyword: CPMD

Displaying 1 - 1 of 1 results
results per page
Sort by:

Subscribe
Send this search

You searched for:

Refine Your Search

Subject Area: Arts (0); Business (0); Humanities (0); Mathematics & Stat… (0); Science & Technolo… (1); Social Sciences (0)

Grade Level: Primary (0); Secondary (0); Post-secondary (1)

Primary: Grades K-6

Secondary: Grades 7-12

Post-Secondary: University

Material Type: Activities & Labs (1); Assessments (0); Audio Lectures (0); Curriculum Standar… (0); Discussion Forums (0); Full Course (1); Games (0); Homework & Assignm… (1); Lecture Notes (1); Lesson Plans (0); Readings (0); Simulations (0); Syllabi (1); Teaching & Learnin… (0); Textbooks (0); Training Materials (0); Video Lectures (0); Other (1)

Media Format: Audio (0); Graphics/Photos (0); Mobile (0); Other (0); Text/HTML (1); Downloadable docs (1); Video (0); Interactive (0)

Conditions of Use: No Strings Attached (0); Remix & Share (1); Share Only (0); Read the Fine Print (0)

No Strings Attached
No restrictions on your remixing, redistributing, or making derivative works. Give credit to the author, as required.

Remix and Share
Your remixing, redistributing, or making derivatives works comes with some restrictions, including how it is shared.

Share Only
Your redistributing comes with some restrictions. Do not remix or make derivative works.

Read the Fine Print
Copyrighted materials, available under Fair Use and the TEACH Act for US-based educators, or other custom arrangements. Go to the resource provider to see their individual restrictions.

Content Source: Open Author Resources (0); Content Provider Resources (1)

You must be logged in to perform this action.

You must be logged in to perform this action.

You must be logged in to perform this action.

You must be logged in to perform this action.

You must be logged in to perform this action.

You must be logged in to perform this action.

Expand All
Collapse All

Remix and Share

Save this item
Tag this item
Align this item

Computational Quantum Mechanics of Molecular and Extended Systems, Fall 2004

(Complete Item Description)

Abstract:: The theoretical frameworks of Hartree-Fock theory and density functional theory are presented as approximate methods to solve the many-electron problem. A variety of ways to incorporate electron correlation are discussed. The application of these techniques to calculate the reactivity and spectroscopic properties of chemical systems, in addition to the thermodynamics and kinetics of chemical processes, is emphasized. This course also focuses on cutting edge methods to sample complex hypersurfaces, for reactions in liquids, catalysts and biological systems.

Subject:: Science and Technology
Grade Level:: Post-secondary
Collection:: MIT OpenCourseWare

Expand All
Collapse All

Send link to this page

Send to

The e-mail address to send this link to.

Comment

A comment about this link.

Add new tag:

Not Yet Aligned

Add new alignment tag:

Select curriculum standard:

Select grade:

Select learning domain:

Select alignment tag:

Close

Top Keywords

Car-Parrinello Molecular Dynamics Chemical Engineering Chemical Processes Chemical Systems chemistry Complex Hypersurfaces Computational Quantum Mechanics CPMD Density Functional Theory DFT Electron Correlation Extended Systems Hartree-Fock Theory Kinetics Many-Electron Problem Molecular Systems Quantum Mechanics Reactivity Spectroscopic Properties thermodynamics

Conditions of Use

No Strings Attached
Remix and Share
Share Only
Read the Fine Print

No restrictions on your remixing, redistributing, or making derivative works. Give credit to the author, as required.

Your remixing, redistributing, or making derivatives works comes with some restrictions, including how it is shared.

Your redistributing comes with some restrictions. Do not remix or make derivative works.

Copyrighted materials, available under Fair Use and the TEACH Act for US-based educators, or other custom arrangements. Go to the resource provider to see their individual restrictions.

Home
Browse All
OER Landscape
My Items
OER Wiki
About
Help
Feedback

© 2007 - 2012, OER Commons, a project created by ISKME. Except where otherwise noted, content created on this site is licensed under a
Creative Commons Attribution-NonCommercial-ShareAlike 3.0 License.