eBook - PDF
Electronic Structure Modeling
Connections Between Theory and Software
- 504 pages
- English
- PDF
- Available on iOS & Android
eBook - PDF
About this book
Computational chemistry, including electronic structure modeling, is a fast and accurate tool for treating large chemically meaningful systems. Unique among current quantum chemistry texts, Electronic Structure Modeling: Connections Between Theory and Software enables nonspecialists to employ computational methods in their own investigations. The t
Frequently asked questions
Yes, you can cancel anytime from the Subscription tab in your account settings on the Perlego website. Your subscription will stay active until the end of your current billing period. Learn how to cancel your subscription.
At the moment all of our mobile-responsive ePub books are available to download via the app. Most of our PDFs are also available to download and we're working on making the final remaining ones downloadable now. Learn more here.
Perlego offers two plans: Essential and Complete
- Essential is ideal for learners and professionals who enjoy exploring a wide range of subjects. Access the Essential Library with 800,000+ trusted titles and best-sellers across business, personal growth, and the humanities. Includes unlimited reading time and Standard Read Aloud voice.
- Complete: Perfect for advanced learners and researchers needing full, unrestricted access. Unlock 1.4M+ books across hundreds of subjects, including academic and specialized titles. The Complete Plan also includes advanced features like Premium Read Aloud and Research Assistant.
We are an online textbook subscription service, where you can get access to an entire online library for less than the price of a single book per month. With over 1 million books across 1000+ topics, we’ve got you covered! Learn more here.
Look out for the read-aloud symbol on your next book to see if you can listen to it. The read-aloud tool reads text aloud for you, highlighting the text as it is being read. You can pause it, speed it up and slow it down. Learn more here.
Yes! You can use the Perlego app on both iOS or Android devices to read anytime, anywhere — even offline. Perfect for commutes or when you’re on the go.
Please note we cannot support devices running on iOS 13 and Android 7 or earlier. Learn more about using the app.
Please note we cannot support devices running on iOS 13 and Android 7 or earlier. Learn more about using the app.
Yes, you can access Electronic Structure Modeling by Carl Trindle,Donald Shillady in PDF and/or ePUB format, as well as other popular books in Physical Sciences & Chemistry. We have over one million books available in our catalogue for you to explore.
Information
Table of contents
- Front cover
- Contents
- Preface
- Authors
- Chapter 1. One-Dimensional Quantum Mechanics: A Short Review
- Chapter 2. Matrices, Representations, and Electronic Structure Modeling
- Chapter 3. Methods of Approximation and the SCF Method
- Chapter 4. Gaussian-Lobe Basis Sets
- Chapter 5. A Very Simple MO Program
- Chapter 6. Geometry Optimization and Vibrational Frequencies by SCF
- Chapter 7. Configuration Interaction and Potential Curves
- Chapter 8. Perturbation Theory
- Chapter 9. Highly Accurate Methods: Coupled Cluster Calculation, Extrapolation to Chemical Accuracy, and Quantum Monte Carlo Methods
- Chapter 10. Modeling the Coulomb Hole
- Chapter 11. Density Functional Theory
- Chapter 12. Calculation of Nuclear Magnetic Resonance Shielding/Shifts
- Chapter 13. The Representation of Electronically Excited States
- Chapter 14. Circular Dichroism and Optical Rotatory Dispersion
- Index
- Back cover