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List of works by Henry Krakauer

A study of H+H2 and several H-bonded molecules by phaseless auxiliary-field quantum Monte Carlo with plane wave and Gaussian basis sets

scientific article

Accelerating the convergence of self-consistent linearized augmented-plane-wave calculations

scientific article published on 01 December 1986

All-electron and pseudopotential force calculations using the linearized-augmented-plane-wave method

scientific article published on 01 March 1991

Anisotropic normal-state transport properties predicted and analyzed for high-Tc oxide superconductors

scientific article published on 01 May 1988

Ashkenazi et al. reply

scientific article published on 01 November 1989

Assessing weak hydrogen binding on Ca+ centers: an accurate many-body study with large basis sets.

scientific article published in October 2011

Auxiliary-field quantum Monte Carlo calculations of molecular systems with a Gaussian basis

scientific article

Auxiliary-field quantum Monte Carlo study of first- and second-row post-d elements

scientific article

Band-theory analysis of anisotropic transport in La2CuO

scientific article published on 01 September 1987

Bond breaking with auxiliary-field quantum Monte Carlo

scientific article published on 01 October 2007

Bonding and reconstruction of the W(001) surface

scientific article published on 01 March 1988

Effect of bismuth on high-Tc cuprate superconductors: Electronic structure of Bi2Sr

scientific article published on 01 April 1988

Elastic constants of NbC and MoN: Instability of B1-MoN

scientific article published on 01 March 1988

Electron-phonon coupling in UBe13: Absence of conventional superconductivity

scientific article published on 01 November 1986

Eliminating spin contamination in auxiliary-field quantum Monte Carlo: realistic potential energy curve of F(2)

scientific article published on 01 March 2008

Equilibrium geometry and electronic structure of the low-temperature W(001) surface.

scientific article published in April 1992

Equilibrium properties of hcp titanium and zirconium

scientific article published on 01 November 1987

Evidence of conventional superconductivity in La-Ba-Cu-O compounds

scientific article published on 01 May 1987

Excited state calculations using phaseless auxiliary-field quantum Monte Carlo: Potential energy curves of low-lying C(2) singlet states

scientific article

Fermi surface of UPt3 within the local-density approximation

scientific article published on 01 May 1987

Finite-size correction in many-body electronic structure calculations

scientific article published on 28 March 2008

First-principles calculations of 17O nuclear magnetic resonance chemical shielding in Pb(Zr(1/2)Ti(1/2))O3 and Pb(Mg(1/3)Nb(2/3))O3: linear dependence on transition-metal/oxygen bond lengths

scientific article published in September 2011

First-principles phonon calculations for La2CuO4

scientific article published on 01 February 1989

Gradient-corrected density functionals: Full-potential calculations for iron

scientific article published on 01 May 1991

Ground state of trans-polyacetylene and the Peierls mechanism

scientific article published on 01 April 1989

Ground-state properties of fcc and bcc lanthanum

scientific article published on 01 March 1989

H-point phonon in molybdenum: Superlinearized augmented-plane-wave calculations

scientific article published on 01 January 1991

High sensitivity of 17O NMR to p-d hybridization in transition metal perovskites: first principles calculations of large anisotropic chemical shielding

scientific article

High sensitivity of positrons to oxygen vacancies and to copper-oxygen chain disorder in YBa2Cu

scientific article published on 01 May 1988

Instability of the ideal tungsten (001) surface

scientific article published on 01 December 1986

Ionic contributions to lattice instabilities and phonon dispersion in La2CuO

scientific article published on 01 February 1988

Large calculated electron-phonon interactions in La2-xMxCuO4

scientific article published on 01 January 1993

Lattice dynamics and origin of ferroelectricity in BaTiO3: Linearized-augmented-plane-wave total-energy calculations

scientific article published on 01 October 1990

Linear-response calculations within the linearized augmented plane-wave method

scientific article published on 01 February 1994

Linearized augmented-plane-wave calculation of the electronic structure and total energy of tungsten

scientific article published on 01 December 1985

Linearized-augmented-plane-wave method with Car-Parrinello scaling

scientific article published in June 1994

Local-density description of antiferromagnetic Cr

scientific article published on 01 December 1988

Local-density prediction of the Fermi surface of UBe13

scientific article published on 01 September 1987

Local-density-approximation study of LaS and SmS

scientific article published on 01 June 1988

Local-density-functional calculation of the pressure-induced metallization of BaSe and BaTe

scientific article published on 01 September 1985

Martensitic transformation of Ca

scientific article published on 01 September 1990

Metallization pressure for NaCl in the B2 structure

scientific article published on 01 August 1990

Monte Carlo study of the W(001) surface reconstruction transition based on total-energy calculations

scientific article published on 01 November 1989

Positron annihilation in high-Tc superconductors

scientific article published on 01 May 1989

Practical implementation and remaining problems for the film linearized muffin-tin orbital calculation of surface electronic structure

scientific article published on 01 September 1986

Practical method for highly accurate large-scale surface calculations

scientific article published on 01 May 1986

Precise band structure and Fermi-surface calculation for YBa2Cu3O7: Importance of three-dimensional dispersion

scientific article published on 01 November 1990

Projector-basis technique and Car-Parrinello scaling in mixed-basis, linearized-augmented-plane-wave, and extended linearized-augmented-plane-wave electronic-structure methods

scientific article

Smooth Fourier interpolation of periodic functions

scientific article published on 01 August 1988

Sodium chloride structural properties: Linearized augmented-plane-wave calculations and pressure calibration

scientific article published on 01 April 1987

Stereochemistry determination by powder X-ray diffraction analysis and NMR spectroscopy residual dipolar couplings

scientific article published on 01 January 2009

Surface strain of tungsten (001)

scientific article published on 01 January 1991

Theoretical determination that electrons act as anions in the electride Cs+ (15-crown-5)2·e-

scientific article published in Nature

Theory of magnetic and structural ordering in iron

scientific article published on 01 April 1985

Total-energy study of the equation of state of HgTe and HgSe

scientific article published in May 1989

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