Sökning: "Multi-reference density functional method"
Hittade 2 avhandlingar innehållade orden Multi-reference density functional method.
1. Theoretical Actinide Chemistry – Methods and Models
Sammanfattning : The chemistry of actinides in aqueous solution is important, and it is essential to build adequate conceptual models and develop methods applicable for actinide systems. The complex electronic structure makes benchmarking necessary. LÄS MER
2. Spin-Spin and Spin-Orbit coupling studies of small species and magnetic system
Sammanfattning : The spin of an electron often misleadingly interpreted as the classical rotationof a particle. The quantum spin distinguishes itself from classicalrotation by possessing quantized states and can be detected by its magneticmoment. The properties of spin and its collective behavior with otherfundamental properties are fascinating in basic sciences. LÄS MER