All-particle Hamiltonians for polyatomic molecules. II. Born—Oppenheimer and other adiabatic approximations

All-particle Hamiltonians for polyatomic

All-particle Hamiltonians for polyatomic molecules. I. Body-fixed frames and coordinates. Classical treatment

✍ Mahouton Norbert Hounkonnou; Xavier Chapuisat 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 572 KB

With a view to quantization, exact classical expressions of Hamiltonians are derived for a molecular system made up of Y electrons and N nuclei, by applying a body-fued (BF ) matrix procedure recently introduced. Two cases are considered, depending on whether the BF frame origin is at the centre of