A comparative study of the equations of motion, and configuration interaction methods for the calculation of excitation properties of methane and water

Author： Williams Geoffrey   Poppinger Dieter  

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.30, Iss.4, 1975-10, pp. : 1005-1013

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

Optical and magneto-optical properties of the endohedral complex La@C82 crystal: a Hartree–Fock single-excitation configuration interaction model study

By Rostampour E.   Koohi A.  

Journal of Modern Optics, Vol. 61, Iss. 14, 2014-08 ,pp. : 1195-1204

Taylor & Francis Ltd

Access to resources Recommend Favorite

Hypervirial relations as constraints in calculations of electronic excitation properties: the random phase approximation in configuration interaction language

By Hansen Aage   Bouman Thomas  

Molecular Physics, Vol. 37, Iss. 6, 1979-06 ,pp. : 1713-1724

Taylor & Francis Ltd

Access to resources Recommend Favorite

Improved calculation of spin-dependent properties for internally contracted multireference configuration interaction wavefunctions

By Mitrushenkov Alexander O.   Palmieri Paolo   Tarroni Riccardo  

Molecular Physics, Vol. 101, Iss. 13, 2003-07 ,pp. : 2043-2046

Taylor & Francis Ltd

Access to resources Recommend Favorite

Configuration interaction calculation of the O 2 + ion and study of the photoelectron spectra of O 2

By Honjou Nobumitsu   Tanaka Kiyoshi   Ohno Kimio   Taketa Hiroshi  

Molecular Physics, Vol. 35, Iss. 6, 1978-06 ,pp. : 1569-1578

Taylor & Francis Ltd

Access to resources Recommend Favorite

Application of unitary group methods to configuration interaction calculations

By Hegarty Dermot   Robb Michael  

Molecular Physics, Vol. 38, Iss. 6, 1979-12 ,pp. : 1795-1812

Taylor & Francis Ltd

Access to resources Recommend Favorite