Erratum: Spin-unrestricted time-dependent Hartree–Fock theory of frequency-dependent linear and nonlinear optical properties [J. Chem. Phys. 104, 6590 (1996)]

Karna, Shashi P.
October 1996
Journal of Chemical Physics;10/8/1996, Vol. 105 Issue 14, p6091
Academic Journal
Presents a correction on an article about spin-unrestricted time-dependent Hartree-Fock theory of frequency-dependent linear and nonlinear optical properties.


Related Articles

  • Group theoretical analysis of the Hartree–Fock–Bogoliubov equation. II.The case of the electronic system with tricrinic lattice symmetry. Ozaki, Masa-aki // Journal of Mathematical Physics;Jul85, Vol. 26 Issue 7, p1521 

    This paper describes a group theoretical classification of the temperature—Hartree-FockBogoliubov (HFB) equation in a crystalline solid system and the electronic state of the system. It is shown that the state with a single-order parameter (charge density wave, spin density wave, etc.) is...

  • Interelectronic moments of atoms in position and momentum spaces. Koga, Toshikatsu; Matsuyama, Hisashi // Journal of Chemical Physics;11/22/1997, Vol. 107 Issue 20, p8510 

    Discusses the calculation of interelectronic moments in position and momentum space of atomic systems within the Hartree-Fock framework. Structure of intracule density;Moments from characteristic function; Interelectronic moments in momentum space.

  • Time-dependent rotated Hartree: Formal development. Meyer, H.-D.; Kucˇar, J.; Cederbaum, L. S. // Journal of Mathematical Physics;Jun88, Vol. 29 Issue 6, p1417 

    A new approximation for solving the time-dependent Schrödinger equation is proposed. It improves the time-dependent Hartree approximation by including time-dependent unitary operators acting on the Hartree product. This allows for the approximate description of the correlation between the...

  • Density-matrix functional theory for the N-particle ground state. Zumbach, Gil; Maschke, Klaus // Journal of Chemical Physics;6/15/1985, Vol. 82 Issue 12, p5604 

    We discuss the one-particle density-matrix functional theory for the N-particle ground-state problem. Using the variational principle we obtain a set of self-consistent equations which could be useful for practical calculations. The derived relation between the eigenvalues of the density matrix...

  • Energy equipartitioning in the classical time-dependent Hartree approximation. Straub, John E.; Karplus, Martin // Journal of Chemical Physics;5/15/1991, Vol. 94 Issue 10, p6737 

    In the classical time-dependent Hartree approximation (TDH), the dynamics of a single molecule is approximated by that of a ‘‘field’’ (each field being N ‘‘copies’’ of the molecule which are transparent to one another while interacting with the...

  • Ab initio study of the electronic spectrum of a Cs11O3 cluster. Wang, Ping; Ermler, Walter C. // Journal of Chemical Physics;6/1/1991, Vol. 94 Issue 11, p7231 

    Geometries and electronic states of the cesium suboxide cluster Cs11O3 are investigated by means of ab initio Hartree–Fock calculations. Relativistic effective core potentials are employed to represent core electrons in the atoms while Gaussian-type orbital basis sets are used to describe...

  • Water molecules in different crystal surroundings: Vibrational O–H frequencies from ab initio calculations. Ojamäe, Lars; Hermansson, Kersti // Journal of Chemical Physics;6/15/1992, Vol. 96 Issue 12, p9035 

    Ab initio quantum-mechanical calculations of anharmonic frequencies for the water O–H vibrations have been performed for a series of crystalline hydrates. In each case, the potential-energy curve for the uncoupled water O–H stretch was derived at the Mo\ller–Plesset MP2...

  • On frequency shifts in OH stretching vibrations of hydrated cations. Probst, Michael M.; Hermansson, Kersti // Journal of Chemical Physics;6/15/1992, Vol. 96 Issue 12, p8995 

    Ab initio calculations of force constants up to fourth order and anharmonic frequencies for the uncoupled O–H stretching vibration in hydrates of the ions Li+, Na+, Mg2+, and Al3+ have been performed at the Hartree–Fock level for Mn+(H2O)m and Mn+(H2O)m···(H2O)2 complexes,...

  • Instability of the trimeric antiferromagnetic chain. Zaspel, C. E. // Journal of Chemical Physics;4/15/1987, Vol. 86 Issue 8, p4713 

    It is shown that the trimerized xy chain with only nearest-neighbor exchange interactions is unstable. The stable structure is a chain of dimers interacting through an intermediate spin.


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics