« previous next »
Pages: [1]   Go Down

Author Topic: How can I set the distance between two different atoms?  (Read 3455 times)

0 Members and 1 Guest are viewing this topic.

Offline soulsai

  • New QuantumATK user
  • *
  • Posts: 2
  • Reputation: 0
    • View Profile
How can I set the distance between two different atoms?
« on: June 3, 2010, 15:03 »
dir sir,
How can I set the distance between two different atoms? Should I consider the influence of the hybrid orbital theory or other theories between the new atom introduced in our system? And how? Is there some point? Or ATK has done it by itself?
Thanks a lot.
Logged

Offline youngjfly

  • Heavy QuantumATK user
  • ***
  • Posts: 30
  • Reputation: 0
    • View Profile
Re: How can I set the distance between two different atoms?
« Reply #1 on: June 4, 2010, 05:47 »
the distance between two different atoms must be optimized according to the total energy.
Choose the distance when you get the smallest energy.
Logged
Pages: [1]   Go Up
« previous next »