Deriving total energy in a Hydrogen molecule

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SUMMARY

The discussion focuses on deriving the total energy of a hydrogen molecule (H2) using quantum physics, specifically through the Hartree-Fock method. Participants recommend resources such as MIT's introductory quantum mechanics lecture notes and a Texas University quantum mechanics teaching resource for foundational understanding. The hydrogen molecule is identified as a four-particle system, and numerical routines are essential for evaluating the necessary integrals in energy calculations.

PREREQUISITES
  • Quantum Mechanics fundamentals
  • Hartree-Fock method for quantum chemistry
  • Numerical integration techniques
  • Understanding of molecular systems and particle interactions
NEXT STEPS
  • Study the Hartree-Fock method in detail
  • Explore numerical methods for integral evaluation in quantum chemistry
  • Review MIT's quantum mechanics lecture notes for foundational concepts
  • Research the mathematical derivation of energy levels in multi-particle systems
USEFUL FOR

Students and researchers in quantum chemistry, physicists focusing on molecular systems, and anyone interested in computational methods for energy calculations in hydrogen molecules.

fisher garry
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I am looking for litterature that derives mathematically the total energy in a ##H_2## molecule by using quantum physics. Anyone knows a book they can recommend. I have seen derivations for helium atom for example:

http://farside.ph.utexas.edu/teaching/qmech/Quantum/node128.html

I need something similar for the hydrogen atom. Anyone? Cheers!
 
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The hydrogen molecule is a 4 particle system. When I was a senior in QM, I wrote a program that solved for the energy H2 as a function of inter-nuclear separation. I used the Hartree Fock method to solve for the energy. There are a lot of integrals that must be evaluated, so I wrote a numerical routine to solve for the integrals.
 
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