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Main Program Usage / Default choice of the starting orbitals
« on: February 10, 2020, 10:20:14 AM »
Hello. Thank you for your useful answers. I came up with a few others 
I noticed that the default behavior of MCTDH-X's last version, when the GUESS='HAND' option is set, is to start from orbitals that are random functions. Is there a particular reason for this? Does the program work better with this random starting point?
Also, from this I deduce that the starting orbitals do not need to be orthogonal to each other. Am I correct?

I noticed that the default behavior of MCTDH-X's last version, when the GUESS='HAND' option is set, is to start from orbitals that are random functions. Is there a particular reason for this? Does the program work better with this random starting point?
Also, from this I deduce that the starting orbitals do not need to be orthogonal to each other. Am I correct?