Quantum Monte Carlo for 3d transition-metal atoms.
The domain Green's function Monte Carlo method has been used to calculate the ground-state energy of the atoms Sc through Zn. The fixed node approximation with single-configuration explicitly correlated wave functions is used. A comparison with variational Monte Carlo energies is carried out. The quality of the ground-state energies reported here is similar to that achieved for few-electron atoms using similar techniques.
Sarsa
A
A
Departamento de Física, Campus de Rabanales Edif. C2, Universidad de Córdoba, E-14071 Córdoba, Spain.
Buendía
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E
Galvez
F J
FJ
Maldonado
P
P