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Does Pauli repulsion induce the dissociation energy barriers? A first principles study
Does Pauli repulsion induce the dissociation energy barriers? A first principles study
2008
Masato Ito
Shigeyuki Takagi
Hidekazu Tomono
Kazuo Tsumuraya
Keywords:
Pauli exclusion principle
First principle
Bond-dissociation energy
Spin polarization
Lennard-Jones potential
Potential energy
Potential energy surface
Chemistry
Condensed matter physics
Quantum mechanics
Physics
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