Analytic MRCI gradient for excited states: formalism and application to the n-π* valence- and n-(3s,3p) Rydberg states of formaldehyde

Author： Lischka H.   Dallos M.   Shepard R.  

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.100, Iss.11, 2002-06, pp. : 1647-1658

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

S-wave triplet doubly-excited states 3Se of Li+ below the N=2 excitation threshold of Li2+

By  

Journal of Physics: Conference Series , Vol. 194, Iss. 6, 2009-11 ,pp. : 1-1

IOP Publishing

Access to resources Recommend Favorite

Photoionization of the ground 3s2 1S0 and excited 3s3p 3P2,1,0 states of Fe XV

By  

Journal of Physics: Conference Series , Vol. 635, Iss. 9, 2015-09 ,pp. : 102-102

IOP Publishing

Access to resources Recommend Favorite

Partial autoionisation widths of 2S+1Lo doubly excited O6+ states associated with N = 3 and 4, O7+ threshold

By  

Physica Scripta, Vol. 90, Iss. 3, 2015-03 ,pp. : 35404-35410

IOP Publishing

Access to resources Recommend Favorite

On the 3d Rydberg states of the NO molecule

By Bernard A.   Effantin C.   D'incan J.   Amiot C.   Verg`es J.  

Molecular Physics, Vol. 73, Iss. 1, 1991-05 ,pp. : 221-234

Taylor & Francis Ltd

Access to resources Recommend Favorite

MRCI studies on ground and excited states of CBr

By Burrill S.   Grein F.  

Molecular Physics, Vol. 105, Iss. 13-14, 2007-07 ,pp. : 1891-1901

Taylor & Francis Ltd

Access to resources Recommend Favorite