Roger D. Amos

发表

CALCULATIONS OF VIBRATIONAL ROTATIONAL STRENGTHS

Philip J. Stephens, Riccardo Zanasi, Paolo Lazzeretti, 1987 .

VIBRATIONAL CIRCULAR DICHROISM OF $\beta$-LACTONES

Philip J. Stephens, Nicholas C. Handy, Roger D. Amos, 1988 .

Nuclear shielding constants by density functional theory with gauge including atomic orbitals

Trygve Helgaker, Nicholas C. Handy, Roger D. Amos, 2000 .

The effect of basis set and electron correlation on the predicted electrostatic interactions of peptides

Sarah L. Price, Roger D. Amos, C. W. Murray, 1992 .

Kohn-Sham calculations on open-shell diatomic molecules

Nicholas C. Handy, Roger D. Amos, N. Handy, 1993 .

Restricted Møller—Plesset theory for open-shell molecules

Peter J. Knowles, Nicholas C. Handy, Roger D. Amos, 1991 .

A study of O3, S3, CH2, and Be2 using Kohn–Sham theory with accurate quadrature and large basis sets

Nicholas C. Handy, Roger D. Amos, N. Handy, 1993 .

Stationary points on the potential energy surface of (C2H2)3

Nicholas C. Handy, Richard G. A. Bone, Roger D. Amos, 1989 .

The elimination of singularities in derivative calculations

Julia E. Rice, Nicholas C. Handy, Roger D. Amos, 1985 .

Implementation of analytic derivative methods in quantum chemistry

Julia E. Rice, Roger D. Amos, R. Amos, 1989 .

Basis set and gauge dependence of ab initio calculations of vibrational rotational strengths

Philip J. Stephens, Karl J. Jalkanen, R. W. Kawiecki, 1990 .

Open-shell M∅ller—Plesset perturbation theory

Peter J. Knowles, Nicholas C. Handy, Roger D. Amos, 1991 .

Gradient theory applied to the Brueckner doubles method

Michael J. Frisch, Nicholas C. Handy, Roger D. Amos, 1991 .

Static and dynamic polarisabilities, Cauchy coefficients and their anisotropies: a comparison of standard methods

Roger D. Amos, Carole Van Caillie, R. Amos, 1998 .

Geometric derivatives of excitation energies using SCF and DFT

Roger D. Amos, Carole Van Caillie, R. Amos, 1999 .

Analytic Second Derivatives of the Potential Energy Surface

Nicholas C. Handy, David J. Tozer, Roger D. Amos, 1993 .

Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds

Luis Serrano-Andrés, Björn O. Roos, Nicholas C. Handy, 1999 .

A theoretical study of hyperpolarizability effects in the measurement of molecular quadrupole moments

Roger D. Amos, R. Amos, 1982 .

Raman intensities using time dependent density functional theory

Roger D. Amos, Carole Van Caillie, R. Amos, 2000 .

Kohn—Sham bond lengths and frequencies calculated with accurate quadrature and large basis sets

Nicholas C. Handy, Roger D. Amos, N. Handy, 1992 .

Molecular polarisabilities - a comparison of density functional theory with standard ab initio methods

Sean A. C. McDowell, Nicholas C. Handy, Roger D. Amos, 1995 .