Quantum Chemistry

The field of physical chemistry known as quantum chemistry, also known as molecular quantum mechanics, focuses on the application of quantum mechanics to chemical systems, especially towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. In order to make the calculations computationally feasible while still preserving as much information about significant contributions to the computed wave functions and to observable properties like structures, spectra, and thermodynamic properties, these calculations incorporate methodically applied approximations.



 


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