\n", "An introduction to wave functions for single-electron systems is given.\n", "- [Many-electron wave functions](slater)

\n", "An introduction to many-electron wave functions is given.\n", "- [Operators and matrix elements](operators)

\n", "An introduction to one- and two-electron operators is given together with a presentation of their associated matrix elements.\n", "- [Reduced particle densities](reduced_density)

\n", "One- and two-particle reduced densities are presented and illustrated.\n", "- [Natural orbitals](natural_orbitals)

\n", "Natural orbitals for restricted and unrestricted calculations are introduced.\n", "- [Integrals](integrals)

\n", "A presentation of a technique to transform integrals in the AO basis to the MO basis as needed for correlated wave function methods.\n", "- [Electron spin](spin)

\n", "Definitions of spin operators and a visual illustration of collinear and noncollinear spin densities.\n", "- [Electron correlation](correlation)

\n", "Definition of correlation energy and a visual exploration of the effects of electron correlation on one- and two-particle densities.\n", "- [Dispersion interactions](dispersion)

\n", "Definition of interaction energy and visual illustration of its association with electron correlation. Dispersion correction by means of $C_6$ coefficients is demonstrated.\n", "- [Rayleigh–Schrödinger perturbation theory](pt)

\n", "A presentation of the perturbation theory in a form useful for Møller–Plesset methods.\n", "- [Second quantization](second_quant)

\n", "A presentation of the occupation number formalism is given.\n", "- [Group theory](group_theory)

\n", "A presentation of group theory its application in chemistry is given." ] } ], "metadata": { "kernelspec": { "display_name": "Python 3 (ipykernel)", "language": "python", "name": "python3" }, "language_info": { "codemirror_mode": { "name": "ipython", "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", "version": "3.10.9" } }, "nbformat": 4, "nbformat_minor": 5 }