+ Site Statistics
+ Search Articles
+ PDF Full Text Service
How our service works
Request PDF Full Text
+ Follow Us
Follow on Facebook
Follow on Twitter
Follow on LinkedIn
+ Subscribe to Site Feeds
Most Shared
PDF Full Text
+ Translate
+ Recently Requested

Hartree-Fock study of phase changes in ZnO at high pressure

Hartree-Fock study of phase changes in ZnO at high pressure

Physical Review. B, Condensed Matter 48(11): 7903-7909

Please choose payment method:

(PDF emailed within 0-6 h: $19.90)

Accession: 046213052

Download citation: RISBibTeXText

PMID: 10006975

DOI: 10.1103/physrevb.48.7903

Related references

A post-Hartree-Fock study of pressure-induced phase transitions in solid nitrogen: the case of the α, γ, and ε low-pressure phases. Journal of Chemical Physics 134(7): 074502, 2011

Equation of state and high-pressure phase transitions of stishovite (SiO (sub 2) ); ab initio (periodic Hartree-Fock) results. Journal of Geophysical Research, B, Solid Earth and Planets 98(7): 11,865-11,873, 1993

Molecular structure and infrared spectra of 2-hydroxyl-1,4-naphthoquinone; experimental matrix isolation and theoretical Hartree-Fock and post Hartree-Fock study. Spectrochimica Acta Part A Molecular & Biomolecular Spectroscopy 54(8): 1091-1103, 1998

Molecular structure and infrared spectra of 3,4-dihydroxy-3-cyclobutene-1,2-dione; experimental matrix isolation and theoretical Hartree-Fock and post Hartree-Fock study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 53(7): 959-968, 1997

Vibrational frequencies and structure of 2-thiouracil by Hartree-Fock, post-Hartree-Fock and density functional methods. Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 59(11): 2473-2486, 2003

Hartree Fock and post Hartree Fock studies on cis trans equilibrium of fluoroformyl hypofluorite FC O OF reliability of predicted thermodynamic properties and molecular structures. Molecular Physics 89(5): 1445-1454, 1996

The nature of the stability of Watson-Crick nucleic acids base pairs Ab initio hartree-fock and post-hartree-fock theory studies. Journal Of Biomolecular Structure & Dynamics. 20(6): 937-938, E, 2003

The calculation of the static first and second susceptibilities of crystalline urea: A comparison of Hartree-Fock and density functional theory results obtained with the periodic coupled perturbed Hartree-Fock/Kohn-Sham scheme. Journal of Chemical Physics 131(21): 214704, 2009

Hartree-Fock and Roothaan-Hartree-Fock energies for the ground states of He through Xe. Physical Review. A, Atomic, Molecular, and Optical Physics 46(7): 3691-3696, 1992

Non-linearity of the Hartree-Fock equations. Multiple Hartree-Fock solutions. Journal of Molecular Modeling 23(10): 291, 2017

Periodic Hartree-Fock study of B1 - B2 reactions; phase transition in CaO. Physics of the Earth and Planetary Interiors 72(3-4): 0-298, 1992

Density-functional theory-based chemical reactivity indices in the Hartree-Fock method. I. Unrestricted Hartree-Fock method for a noninteger number of electrons. Journal of Chemical Physics 123(12): 124102, 2006

Hartree-Fock study of pressure-induced strengthening of hydrogen bonding in lizardite-1T. European Journal of Mineralogy 10(3): 483-490, 1998

Quantum-mechanical Hartree-Fock study of calcite (CaCO3) at variable pressure, and comparison with magnesite (MgCO3). Physics and Chemistry of Minerals 20(2): 104-110, 1993

Elastic constants, phase transition, and electronic structure of strontium oxide SrO: An ab initio Hartree-Fock study. Physical Review. B, Condensed Matter 48(2): 799-806, 1993