About

|

Membership

|

Workshops

|

Publications

|

Research

|

Vacancies

|

Software

|

Links

 

WAVR4


WAVR4 is a variational program for the calculation of the rovibrational energies and wavefunctions of tetraatomic molecules exhibiting wide-amplitude motions. Please contact Mark Law or Igor Kozin for further details.

References:
Kozin IN, Law MM, Tennyson J, Hutson JM, COMPUTER PHYSICS COMMUNICATIONS 163 (2): 117-131 (2004).
Kozin IN, Tennyson J, Law MM, COMPUTER PHYSICS COMMUNICATIONS 165 (1): 10-14 (2005).

Download it here.

 

Disclaimers, Contributions, Comments: We do not accept any responsibility for loss or damage arising from the use of information contained in any of our reports or in any communication about our tests or investigations.Your contact details are kept on this WWW server and related databases solely for the purpose of distributing information about CCP6 and relevant activities. In compliance with the Data Protection Act we ask you to contact us immediately if you do not wish your details to be kept. (C) 1997 - 2007 CCP6

This page was last modified September 16, 2008