Relativistic Quantum Chemistry

作者: Pekka Pyykkö

DOI: 10.1016/S0065-3276(08)60241-5

关键词: QuantumAtomic orbitalDirac equationLinear combination of atomic orbitalsQuantum mechanicsMolecular orbitalHamiltonian (quantum mechanics)Wave functionRelativistic quantum chemistryPhysics

摘要: Publisher Summary This chapter provides a summary of the relativistic calculations on multielectron or multicenter problems. The Dirac–Fock Hamiltonian and the main quantum …

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