Electronic structure methods

Pople diagram

A Pople diagram or Pople's Diagram is a diagram which describes the relationship between various calculation methods in computational chemistry. It was initially introduced in January 1965 by Sir John Pople, KBE FRS, during the Symposium of Atomic and Molecular Quantum Theory in Florida. The Pople Diagram can be either 2-dimensional or 3-dimensional, with the axes representing ab initio methods, basis sets and treatment of relativity. The diagram attempts to balance calculations by giving all aspects of a computation equal weight. (Wikipedia).

Pople diagram
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How to draw an ellipse like a boss

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Lec 24 | MIT 5.112 Principles of Chemical Science, Fall 2005

Theory of Molecular Shapes View the complete course: http://ocw.mit.edu/5-112F05 License: Creative Commons BY-NC-SA More information at http://ocw.mit.edu/terms More courses at http://ocw.mit.edu

From playlist MIT 5.112 Principles of Chemical Science, Fall 2005

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Chem 203. Organic Spectroscopy. Lecture 11. Magnetic Equivalence, Spin Systems, and Pople Notation

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Lec 26 | MIT 5.112 Principles of Chemical Science, Fall 2005

Molecular Orbital Theory View the complete course: http://ocw.mit.edu/5-112F05 License: Creative Commons BY-NC-SA More information at http://ocw.mit.edu/terms More courses at http://ocw.mit.edu

From playlist MIT 5.112 Principles of Chemical Science, Fall 2005

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Chem 203. Lecture 12: Magnetic Equivalence, Spin Systems, and Pople Notation

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Box and whisker plots in Plotly for Python

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Quantum chemistry composite methods | Electronic correlation | Born–Oppenheimer approximation