TY - JOUR
T1 - Ab initio calculations of doubly resonant sum-frequency generation second-order polarizabilities of LiH
AU - Zaleśny, Robert
AU - Bartkowiak, Wojciech
AU - Champagne, Benoît
PY - 2003/10/28
Y1 - 2003/10/28
N2 - In the present Letter doubly resonant sum-frequency generation (DR-SFG) second-order polarizabilities (β) are reported for the lithium hydride molecule. The calculations, which refer to the diagonal longitudinal component of β and ignore rotation, are based on data evaluated using the multireference configuration interaction method with singles and doubles. The DR-SFG results are partitioned into their infrared-visible and visible-infrared components. They are analyzed as a function of the infrared and visible frequencies as well as the number of vibrational states considered in the sum-over-states expressions.
AB - In the present Letter doubly resonant sum-frequency generation (DR-SFG) second-order polarizabilities (β) are reported for the lithium hydride molecule. The calculations, which refer to the diagonal longitudinal component of β and ignore rotation, are based on data evaluated using the multireference configuration interaction method with singles and doubles. The DR-SFG results are partitioned into their infrared-visible and visible-infrared components. They are analyzed as a function of the infrared and visible frequencies as well as the number of vibrational states considered in the sum-over-states expressions.
UR - http://www.scopus.com/inward/record.url?scp=0142186235&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2003.09.042
DO - 10.1016/j.cplett.2003.09.042
M3 - Article
AN - SCOPUS:0142186235
SN - 0009-2614
VL - 380
SP - 549
EP - 555
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 5-6
ER -