[CPMD-list] path integral

[Ivan Ivanov]

Dear CPMD users,

1.How do I select nuclei for PATH INTEGRAL
simulations?

e.g I want to treat only 1 nucleus as "quantum",
others behaving classically.

The manual describes the situation where all nuclei
are
treated as "quantum".

2. Does anyone have experience with using PATH
INTEGRAL 
SIMULATION coupled with using EXTERNAL POTENTIAL
option?

More generally - Is CPMD suitable for studying quantum
behaviour of nuclei under external electrostatic
field?


Thanks for your answers!
Iv








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