We aim to reform the teaching methods of Structural Chemistry by introducing more advanced and powerful tools.
The lecture notes for A Quick Introduction to Structural Chemistry, a short lecture I delivered in Nov 2021. The lecture is intended for undergraduate students in their second year of study. Previous knowledge of high-school chemistry, calculus and linear algebra is recommended.
Notes: Using the .tex file is strongly recommended as the .pdf may be not updated on time.
- Changed the title of lecture notes to "A Quick Introduction to Structural Chemistry". The current content makes it unsuitable to name it with "Quantum Chemistry", so I decided to use "Structural Chemistry" instead.
- Expanded the projct. Now it allows places to contain other stuffs on structural chemistry.
- Created the project.
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Create an English version of "A Quick Introduction to Structural Chemistry".
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Sections in "A Quick Introduction to Structural Chemistry" listed below need to be re-writed:
- Operators. Matrix notions could be introduced first, and then using function notions. I also plan to implement Dirac notation here.
- Atomic Spectra. Need to be further expanded.
- Variational Method. The variational method is
$$\frac{\langle \rm{\Psi} \lvert \scr{H} \rvert \rm{\Psi} \rangle}{\langle \rm{\Psi} | \rm{\Psi} \rangle} \geq E_0 = \frac{\langle \rm{\Phi} \lvert \scr{H} \rvert \rm{\Phi} \rangle}{\langle \rm{\Phi} | \rm{\Phi} \rangle} $$ We assumed without mentioning that$\Psi = \Psi(\psi_1,\psi_2, ... , \alpha_1, \alpha_2, ... )$ where $ \alpha_1, \alpha_2, ...$ are independent, so that to minimize the energy we need to set $$ \frac{\partial E}{\partial \alpha_1} = \frac{\partial E}{\partial \alpha_2} = \dots = 0$$ This is of course not the most general case. Lagrangian multiplier method is needed as the coefficients are often dependent on each other. - Computational Chemistry.
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A Wolfram notebook on Structural Chemistry, based on the book Bonding through Code: Theoretical Models for Molecules and Materials by Daniel C. Fredrickson.