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AN INTRODUCTION TO MCSCF: PART 2 ORBITAL APPROXIMATION Ψh p = ψ 1(1)ψ2(2)…ψN(N)
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Document Date: 2013-11-12 12:31:45
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File Size: 1,47 MB
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energy species /
energy /
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Computational chemistry
Theoretical chemistry
Atomic physics
Quantum mechanics
Multi-configurational self-consistent field
Slater determinant
Hartree–Fock method
Atomic orbital
Wave function
Chemistry