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VOLUME 62 (1995) | ISSUE 5 | PAGE 427
Microscopic instanton dynamics in molecules and crystals. Tunneling in NH3
A method is proposed for constructing a systematic microscopic description of tunneling processes in molecules and solids. The method is based on the quasiclassical approximation (introduction of instantons) for the nuclear variables and a first-principles calculation of the electronic energy. The inverse splitting of the ground state in NH3 molecules is calculated. © J 995 American institute of Physics.