B. Sutcliffe

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Variational methods for the calculation of rovibrational energy levels of small molecules

J. Tennyson, B. Sutcliffe, 1987 .

A calculation of the rovibrational spectra of the H3/ , H2D and D2H molecules

J. Tennyson, B. Sutcliffe, 1985 .

Calculated ro-vibrational spectrum of H2D+

J. Tennyson, B. Sutcliffe, 1985 .

The Fundamentals of Electron Density, Density Matrix and Density Functional Theory for Atoms, Molecules and the Solid State — A Forum Preview

B. Sutcliffe, 2003 .

Is Chemistry Really Founded in Quantum Mechanics

B. Sutcliffe, R. Woolley, 2020, 2003.06599.

Non-empirical LCAO-MO-SCF-CI calculations on organic molecules with Graussian type functions

J. W. Moskowitz, M. Harrison, I. Csizmadia, 1967 .

Configuration interaction by the method of bonded functions, some preliminary calculations

G. Diercksen, B. Sutcliffe, 1974 .

PROCEEDINGS OF FARADAY SYMPOSIUM 23 ON MOLECULAR VIBRATIONS - GENERAL DISCUSSION

Jonathan Tennyson, Child, Per Jensen, 1988 .

The idea of a potential energy surface

B. Sutcliffe, 1995 .

Hyperfine Electron Spin Resonance Spectrum of the NH2 Free Radical

B. Sutcliffe, 1963 .

The decoupling of electronic and nuclear motions in the isolated molecule Schrödinger Hamiltonian

B. Sutcliffe, 2000 .

A GROUP ORBITAL STUDY OF LITHIUM HYDRIDE

M. P. Barnett, I. Csizmadia, B. Sutcliffe, 1964 .

On the Meyer–Botschwina–Burton potential energy surface for H3+

J. Tennyson, M. Bramley, J. Henderson, 1993 .

A semi-empirical approach to the estimation of ESR isotropic hyperfine coupling constants in aromatic radicals

B. Sutcliffe, M. Chiu, 1970 .

Spin polarization effects in paramagnetic molecules calculations on the NH2 radical

R. Mcweeny, B. Sutcliffe, 1963 .

Matrix Elements between Bonded Functions

B. Sutcliffe, 1966 .

An effective computational approach to the calculation of the vibration-rotation spectra of triatomic molecules

J. Tennyson, S. Miller, B. Sutcliffe, 1988 .

Some observations on P-O Löwdin's definition of a molecule

B. Sutcliffe, 2002 .

Treating nuclei in molecules with quantum mechanical respect

B. Sutcliffe, 2021, Theoretical Chemistry Accounts.

Comment on "elimination of translational and rotational motions in nuclear orbital plus molecular orbital theory" [J. Chem. Phys. 122, 164101 (2005)].

B. Sutcliffe, 2005, The Journal of chemical physics.

The Born-Oppenheimer Approximation

B. Sutcliffe, 1992 .

The nuclear motion Hamiltonian for a tetratomic molecule considered as a combination of an atom and a triatom

N. Anderson, B. Sutcliffe, 1996 .

On the quantum theory of molecules.

Brian T Sutcliffe, R Guy Woolley, B. Sutcliffe, 2012, The Journal of chemical physics.

Theoretical study of hyperfine coupling constants of some .sigma. radicals based on the INDO [intermediate neglect of differential overlap] method

B. C. Gilbert, B. Sutcliffe, M. Chiu, 1972 .

The ab initio calculation of the vibrational‐rotational spectrum of triatomic systems in the close‐coupling approach, with KCN and H2Ne as examples

J. Tennyson, B. Sutcliffe, 1982 .

The calculation of molecular spectra using finite-element methods

J. Tennyson, J. Henderson, B. Sutcliffe, 1994 .

All the bound vibrational states of H3+: A reappraisal

J. Tennyson, J. Henderson, B. Sutcliffe, 1993 .

Dicretization to avoid singularities in vibration–rotation Hamiltonians: A bisector embedding for AB2 triatomics

J. Tennyson, B. Sutcliffe, 1992 .

Reply to Comment on: Discrepancies between variationally calculated vibrational energies of H3+

J. Tennyson, J. Henderson, B. Sutcliffe, 1992 .

Highly excited rovibrational states of small molecules

J. Tennyson, S. Miller, J. Henderson, 1989, Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences.

Highly rotationally excited states of floppy molecules: H2D+ with J ⩽ 20

J. Tennyson, B. Sutcliffe, 1986 .

A generalized approach to the calculation of ro-vibrational spectra of triatomic molecules

J. Tennyson, B. Sutcliffe, 1986 .

Variationally exact ro-vibrational levels of the floppy CH2+ molecule

J. Tennyson, B. Sutcliffe, 1983 .

On the rovibrational levels of the H3 ÷ and H2D ÷ molecules

J. Tennyson, B. Sutcliffe, 1984 .

The use of supercomputers for the variational calculation of ro-vibrationally excited states of floppy molecules

J. Tennyson, S. Miller, B. Sutcliffe, 1987 .

The Concept of Molecular Structure

B. Sutcliffe, 1990 .

On the use of variational wavefunctions in calculating vibrational band intensities

J. Tennyson, S. Miller, C. Sueur, 1992 .

Variationally exact rovibrational spectra of nonrigid triatomics: The HeHF van der Waals molecule

J. Tennyson, B. Sutcliffe, 1983 .

Understanding Floppy Molecules

J. Tennyson, B. Sutcliffe, 1987 .

A general treatment of vibration‐rotation coordinates for triatomic molecules

Jonathan Tennyson, Brian T. Sutcliffe, J. Tennyson, 1991 .

Forbidden rotational and rovibrational transitions in H3+: First principles calculations

J. Tennyson, S. Miller, B. Sutcliffe, 1990 .

Benchmark calculations of first principles rotation and ro-vibrational line strengths

Jonathan Tennyson, Brian T. Sutcliffe, Steven Miller, 1989 .

First principles calculation of rotational and ro-vibrational line strengths

J. Tennyson, S. Miller, B. Sutcliffe, 1989 .

Beyond ro-vibrational separation

J. Tennyson, S. Miller, B. Sutcliffe, 1988 .

A nonempirical calculation of the lowest vibrational band origins for the CH2+ radical using a novel vibrational wavefunction

B. Sutcliffe, R. Bartholomae, D. Martin, 1981 .

The Hamiltonian for a weakly interacting trimer of polyatomic monomers

S. Xantheas, B. Sutcliffe, 1995 .

The Calculation of Ro-Vibrational Spectra Using Supercomputers

Jonathan Tennyson, Brian T. Sutcliffe, Steven Miller, 1989 .

Quantum dynamics of non-rigid systems comprising two polyatomic fragments

J. Tennyson, G. Brocks, A. Avoird, 1983 .

A comment on a recent proposal for the calculation of vibrational energies in the general triatomic molecule

B. Sutcliffe, 1983 .

The Methylene Saga Continues: Stretching Fundamentals and Zero-Point energy of ~X3B1 CH2

V. Szalay, A. Császár, T. Furtenbacher, 2006 .

The density matrix in may-electron quantum mechanics III. Generalized product functions for beryllium and four-electron ions

R. Mcweeny, R. McWeeny, B. T. Sutcliffe, 1963, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

Ab initio vibrational-rotational spectrum of potassium cyanide: KCN

J. Tennyson, B. Sutcliffe, 1982 .

The Potential Energy Surface in Molecular Quantum Mechanics

B. Sutcliffe, R. Woolley, R. G. Woolley, 2013, 1303.3151.

The infrared spectrum of H^+_3 and its isotopomers

B. Sutcliffe, J. Tennyson, 1986 .

The Chemical Bond

B. Sutcliffe, 1977 .

Fundamentals of Self-Consistent-Field (SCF), Hartree-Fock (HF), Multi-Configuration (MC)SCF and Configuration Interaction (CI) schemes

R. Mcweeny, B. Sutcliffe, 1985 .

THE COUPLING OF NUCLEAR AND ELECTRONIC MOTIONS IN MOLECULES

B. Sutcliffe, 1993 .

Three-body calculations in laboratory-fixed hyperspherical coordinates: convergence properties using numerical wavefunctions as applied to the positronium ion e- 3

F. Burden, B. Sutcliffe, 1993 .

Some difficulties in considering rotation motion within the Born-Oppenheimer approximation for polyatomic molecules

B. Sutcliffe, 2012 .

The position of the clamped nuclei electronic hamiltonian in quantum mechanics

B. Sutcliffe, Guy R.G. Woolley, 2012 .

To what question is the clamped-nuclei electronic potential the answer?

B. Sutcliffe, 2010 .

The separation of electronic and nuclear motion in the diatomic molecule

B. Sutcliffe, 2007 .

Adiabatic Jacobi corrections for H2+-like systems.

V. Szalay, A. Császár, B. Sutcliffe, 2007, The Journal of chemical physics.

Atoms and molecules in classical chemistry and quantum mechanics

B. Sutcliffe, R. Woolley, 2012 .

A comment on “Editorial 37”

B. Sutcliffe, R. Woolley, 2011 .

The convergence properties of direct energy minimisation with respect to linear coefficients in the MC-LCAO-MO-SCF approach

B. Sutcliffe, 1975 .

Computational techniques in quantum chemistry and molecular physics : proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4-21 September, 1974

Geerd H. F. Diercksen, Brian T. Sutcliffe, A. Veillard, 1975 .

Comment on ‘Molecular structure in non-Born–Oppenheimer quantum mechanics’

B. Sutcliffe, R. Woolley, 2005 .

Vibrational energy levels with arbitrary potentials using the Eckart-Watson Hamiltonians and the discrete variable representation.

Gábor Czakó, Attila G Császár, A. Császár, 2007, The Journal of chemical physics.

The development of the idea of a chemical bond

B. Sutcliffe, 1996 .

Molecular structure and the born—Oppenheimer approximation

B. Sutcliffe, R. Woolley, 1977 .

The chemical bond and molecular structure

B. Sutcliffe, 1992 .

Use of a nondirect-product basis for treating singularities in triatomic rotational-vibrational calculations.

V. Szalay, A. Császár, T. Furtenbacher, 2007, Physical chemistry chemical physics : PCCP.

What mathematicians know about the solutions of Schrodinger Coulomb Hamiltonian. Should chemists care?

B. Sutcliffe, 2008 .

The Eckart Hamiltonian for Molecules — A Critical Exposition

B. Sutcliffe, 1980 .

A configuration interaction study of phosphine using bonded functions

B. Sutcliffe, James M. Scott, 1976 .

Chapter 31 Coordinate Systems and Transformations

B. T. Sutcliffe, B. Sutcliffe, 2002 .

The use of perimetric coordinates in the vibration-rotation Hamiltonian for triatomic molecules

B. Sutcliffe, 1992 .

SOME CALCULATIONS ON THE GROUND 1S STATE OF THE POSITRONIUM NEGATIVE ION

H. Cox, B. Sutcliffe, Stephen J. Smith, 1996 .

An application of the computer algebra system Maple for calculations on atomic and molecular systems

Brian T. Sutcliffe, Stephen J. Smith, Hazel Cox, 1994 .

Is there an exact potential energy surface?

B. Sutcliffe, 2012, Theoretical Chemistry Accounts.

P-O Löwdin and the Quantum Mechanics of molecules

E. Kryachko, B. Sutcliffe, R. Woolley, 2002 .

The Development of Computational Chemistry in the United Kingdom

Brian T. Sutcliffe, Stephen J. Smith, B. Sutcliffe, 2007 .

The construction and fitting of molecular potential energy surfaces and their use in vibration‐rotation calculations

J. Tennyson, B. Sutcliffe, 1986 .

Molecular structure calculations without clamping the nuclei.

B. Sutcliffe, R. Woolley, 2005, Physical chemistry chemical physics : PCCP.