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Mass Velocity Operator

Posted: 24 Jul 2019, 21:01
by juanjoaucar
Dear Developers,

Id like to point out a possible error in the DaltonĀ“s manual.
In the section **INTEGRALS it says that the integrals related to the mass velocity operator are calculated as shown here:
1.Manual.png
.MASSVE
1.Manual.png (8.45 KiB) Viewed 10554 times
The operator shown in the manual is missing a minus sign:
2.Pauli Hamiltonian.png
Pauli Hamiltonian
2.Pauli Hamiltonian.png (8.95 KiB) Viewed 10554 times
Anyhow it seems that running with the keyword .MASSVE the program does the integrals referred to the right operator.
I think that there is only a minus sign missing in the manual, where it describes the keyword .MASSVE

Thanks.