J. McIver

发表

Rapid geometry optimization for semi-empirical molecular orbital methods

A. Komornicki, J. McIver, 1971 .

The 2021 quantum materials roadmap

F. Giustino, Marius V. Costache, Stephan Roche, 2020, Journal of Physics: Materials.

Valley-selective optical Stark effect in monolayer WS2.

Jing Kong, Liang Fu, Yi-Hsien Lee, 2014, Nature materials.

Singlet biradicals as intermediates. Canonical variational transition-state theory results for trimethylene

J. McIver, M. Page, C. Doubleday, 1988 .

Valley-selective optical Stark effect in monolayer WS2.

L. Fu, J. Kong, N. Gedik, 2014, Nature Materials.

Theoretical and experimental study of second harmonic generation from the surface of the topological insulator Bi2Se3

N. Gedik, J. McIver, S. Drapcho, 2012 .

Pseudoeigenvalue methods for orbital optimization. General theory and application to closed shell, open shell, and two configuration SCF wave functions

J. McIver, M. Page, 1983 .

Following steepest descent reaction paths. The use of higher energy derivatives with ab initio electronic structure methods

Michael Page, James W. McIver, J. McIver, 1990 .

Finite perturbation theory for nuclear spin coupling constants

J. Pople, N. Ostlund, J. McIver, 1967 .

Theoretical and experimental study of second harmonic generation from the surface of the topological insulator Bi_{2}Se_{3}

N. Gedik, J. McIver, Y. Lee, 2012 .

Is tetramethylene an intermediate

H. F. King, J. McIver, M. Page, 1984 .

Structural dependence of the singlet-triplet energy gap of the tetramethylene biradical

J. McIver, M. Page, C. Doubleday, 1985 .

Polarized 3He cell development and application at NIST

J. McIver, W. Chen, D. Rich, 2011 .

Wrinkling of a bilayer membrane.

D. Clarke, A. Concha, J. McIver, 2006, Physical review. E, Statistical, nonlinear, and soft matter physics.

INDO Molecular Orbital Study of Hyperfine Tensors: Theory, Methodology, and Applications to CH, CH3, and Radicaloid Derivatives of Malonic Acid

D. Beveridge, J. McIver, 1971 .

A rotationally invariant orbital transformation

J. McIver, L. Carlacci, 1986 .

Faster finite‐difference calculations of molecular properties

J. McIver, D. Mullally, 1983 .

An efficient ab initio method for computing infrared and Raman intensities: Application to ethylene

A. Komornicki, J. McIver, 1979 .

Ultrafast Optical Probing of Topological Insulators

N. Gedik, J. McIver, D. Hsieh, 2011 .

The calculation of nuclear spin coupling constants from Ab Initio wavefunctions

J. Pople, M. Newton, N. Ostlund, 1969 .

End-compensated magnetostatic cavity for polarized 3He neutron spin filters.

R. Erwin, J. McIver, W. Chen, 2009, The Review of scientific instruments.

Dynamics of singlet biradicals. Application of ab initio variational transition state theory to the fragmentation of tetramethylene

J. McIver, M. Page, C. Doubleday, 1988 .

Viable geometries for T1-S0ISC in alkene triplets

T. Furlani, J. McIver, L. Carlacci, 1988 .

INDO [intermediate neglect of differential overlap] perturbation theory of magnetic shielding constants. Cabon-13 chemical shifts

J. McIver, G. Maciel, P. D. Ellis, 1972 .

Self‐Consistent Perturbation Theory. II. Nuclear‐Spin Coupling Constants

J. Pople, N. Ostlund, J. McIver, 1968 .

Approximate self-consistent molecular orbital theory of nuclear spin coupling. IV. Vicinal proton-proton coupling constants in substituted ethanes and ethylenes and related compounds

J. Pople, N. Ostlund, J. McIver, 1970 .

Structure of transition states in organic reactions. General theory and an application to the cyclobutene-butadiene isomerization using a semiempirical molecular orbital method

James W. McIver, Andrew Komornicki, A. Komornicki, 1972 .

Approximate self-consistent molecular orbital theory of nuclear spin coupling. III. Geminal proton-proton coupling constants

J. Pople, N. Ostlund, J. McIver, 1970 .

Approximate self-consistent molecular orbital theory of nuclear spin coupling. I. Directly bonded carbon-hydrogen coupling constants

J. Pople, N. Ostlund, J. McIver, 1970 .

Self‐Consistent Perturbation Theory. I. Finite Perturbation Methods

N. S. Ostlund, J. Pople, N. Ostlund, 1968 .

Approximate self-consistent molecular orbital theory of nuclear spin coupling. II. Fermi contact contributions to coupling between carbon and directly bonded atoms

J. Pople, N. Ostlund, J. McIver, 1970 .

An efficient ab initio method for computing infrared and Raman intensities: Application to ethylene

A. Komornicki, J. McIver, 1979 .

Charge densities and bond orders for zero differential overlap wavefunctions: Comparison with ab-initio calculations and diffraction results

P. Coppens, J. McIver, D. Nowak, 1971 .

INDO molecular orbital calculation of anisotropic hyperfine coupling constants

D. Beveridge, J. McIver, 1969 .

Control over topological insulator photocurrents with light polarization.

P. Jarillo-Herrero, N. Gedik, J. McIver, 2011, Nature nanotechnology.

Structure of transition states. III. MINDO/2 study of the cyclization of 1,3,5-hexatriene to 1,3-cyclohexadiene

A. Komornicki, J. McIver, 1974 .

On evaluating the reaction path Hamiltonian

Michael Page, James W. McIver, J. McIver, 1988 .

Light-induced anomalous Hall effect in graphene

A. Cavalleri, J. McIver, G. Meier, 2018, Nature physics.

Microscopic theory for the light-induced anomalous Hall effect in graphene

A. Cavalleri, Á. Rubio, Michael A Sentef, 2019, Physical Review B.

Spin−orbit coupling in biradicals. Ab initio MCSCF calculations on trimethylene and the methyl−methyl radical pair

H. F. King, T. Furlani, J. McIver, 1987 .

Colloquium: Nonthermal pathways to ultrafast control in quantum materials

Michael A Sentef, M. Claassen, J. McIver, 2021, Reviews of Modern Physics.

Selective probing of photoinduced charge and spin dynamics in the bulk and surface of a topological insulator.

N. Gedik, J. McIver, Y. Lee, 2011, Physical review letters.

Nonequilibrium quasiparticle relaxation dynamics in single crystals of hole- and electron-doped BaFe2As2

N. Gedik, J. McIver, D. Torchinsky, 2011, 1108.1411.

Band-dependent quasiparticle dynamics in the hole-doped Ba-122 iron pnictides

N. Gedik, J. McIver, D. Torchinsky, 2011 .

Light-induced topological magnons in two-dimensional van der Waals magnets

Á. Rubio, Michael A Sentef, M. Claassen, 2020, 2007.01714.

40 years of the quantum Hall effect

C. Felser, T. Chakraborty, P. Kim, 2020, Nature Reviews Physics.

Topological Floquet engineering of twisted bilayer graphene

Á. Rubio, Michael A Sentef, J. McIver, 2019, Physical Review Research.

CHEMISTRY OF TRIPLET VS. SINGLET BIRADICALS. AN AB INITIO MCSCF STUDY OF TRIMETHYLENE

J. McIver, M. Page, C. Doubleday, 1982 .

Direct Optical Probe of Magnon Topology in Two-Dimensional Quantum Magnets.

Michael A Sentef, J. McIver, S. V. Kusminskiy, 2022, Physical review letters.

Group theoretical selection rules for the transition states of chemical reactions

J. McIver, R. Stanton, 1975 .

Existence of symmetric transition states for cycloaddition reactions

J. McIver, 1972 .

Structure of transition states. 4. MINDO/2 study of rearrangements in the C6H10 system

A. Komornicki, J. McIver, 1976 .

Nonlinear optical probe of tunable surface electrons on a topological insulator.

N. Gedik, J. McIver, Y. Lee, 2011, Physical review letters.

Applications of 3He neutron spin filters at the NCNR

J. Borchers, J. Lynn, R. Erwin, 2009 .

Structure of transition states in organic reactions. II. MINDO [modified intermediate neglect of differential overlap]/2 study of the cyclohexane inversion

James W. McIver, Andrew Komornicki, A. Komornicki, 1973 .

Approximate self-consistent molecular orbital theory of nuclear spin coupling. V. Proton-proton coupling constants in substituted benzenes

N. S. Ostlund, J. Pople, N. Ostlund, 1970 .

Symmetry selection rules for transition states

Richard E. Stanton, James W. McIver, J. McIver, 1972 .

Floquet dynamics in light-driven solids

A. Cavalleri, Á. Rubio, J. McIver, 2020, Physical Review Research.

Optical Stark effect in 2D semiconductors

Liang Fu, Jing Kong, Edbert J. Sie, 2016, SPIE Defense + Security.

Light-induced anomalous Hall effect in graphene

A. Cavalleri, J. McIver, G. Meier, 2019, Nature Physics.

The 2021 quantum materials roadmap

A. I. Figueroa, C. Heil, S. Roche, 2020, Journal of Physics: Materials.

Analytical force constants for MCSCF wave functions

H. F. King, J. McIver, R. Camp, 1983 .

New formulas for integrals in semiemperical molecular orbital methods: Part 2. Coulomb integrals and their first and second Cartesian derivatives in the NDDO theory

J. McIver, M. McCourt, Jane Denton, 1988 .

Erratum: Effect of Spin—Orbit Interactions on the Zero‐Field Splitting of the NH Radical

H. F. Hameka, J. McIver, 1966 .