Spin projected and improved energy states from unrestricted Hartree-Fock

By Theophilou Iris   Thanos S.  

Molecular Physics, Vol. 109, Iss. 11, 2011-06 ,pp. : 1495-1502

Taylor & Francis Ltd

Access to resources Recommend Favorite

Ab initio projected-unrestricted Hartree-Fock calculations

By Lengsfield Byron   Schug John  

Molecular Physics, Vol. 35, Iss. 4, 1978-04 ,pp. : 1113-1123

Taylor & Francis Ltd

Access to resources Recommend Favorite

Spatial symmetry and equivalence with unrestricted Hartree-Fock wavefunctions: application to the prediction of spin densities

By Jayatilaka Dylan   Chandler Graham S.  

Molecular Physics, Vol. 92, Iss. 3, 1997-10 ,pp. : 471-476

Taylor & Francis Ltd

Access to resources Recommend Favorite

Unrestricted Hartree-Fock spin density calculations on sulphur-containing radicals: Role of d -orbitals in the &pgr;-electron treatment

By Nanda D.N.   Narasimhan P.T.  

Molecular Physics, Vol. 24, Iss. 6, 1972-12 ,pp. : 1341-1352

Taylor & Francis Ltd

Access to resources Recommend Favorite

Study of spin density distributions in the radical ions of two non-alternant hydrocarbons by unrestricted Hartree-Fock method: Effect of introducing the variation of β and the inclusion of non-neighbour resonance integrals on the spin density values

By Ray N.K.   Narasimhan P.T.  

Molecular Physics, Vol. 13, Iss. 5, 1967-01 ,pp. : 449-455

Taylor & Francis Ltd

Access to resources Recommend Favorite