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First-principles calculations of the electronic structure of open-shell condensed matter systems
First-principles calculations electronic structure open-shell matter systems
2012/2/24
We develop a Green's function approach to quasiparticle excitations of open-shell systems within the GW approximation. It is shown that accurate calculations of the characteristic multiplet structure ...
Cold collisions of an open-shell S-state atom with a ^2Pi molecule: N(^4S) colliding with OH in a magnetic field
Cold collisions open-shell S-state atom OH magnetic field
2011/8/3
Cold collisions of an open-shell S-state atom with a ^2Pi molecule: N(^4S) colliding with OH in a magnetic field.
On the evaluation of determinantal wave functions in open-shell Hartree-Fock theory
Open-shell system Hartree-Fock theory Determinantal wave function
2010/4/14
Slater method is modified for the evaluation of determinantal wave functions appearing in open-shell Hartree-Fock (HF) theory [1]. Using modified Slater method we have calculated, as an example, the o...