P. Wormer

发表

Conjugate gradient method for the solution of linear equations: Application to molecular electronic structure calculations

P. Wormer, F. Visser, J. Paldus, 1982 .

Rotational state-to-state rate constants and pressure broadening coefficients for He–C2H2 collisions: Theory and experiment

T. Heijmen, P. Wormer, H. Zacharias, 1999 .

Intermolecular potential and rovibrational levels of Ar-HF from symmetry-adapted perturbation theory

P. Wormer, A. Avoird, K. Szalewicz, 1995 .

Ab initio potential energy surface, infrared spectrum, and second virial coefficient of the He–CO complex

P. Wormer, A. Avoird, R. Moszynski, 1995 .

Many‐body perturbation theory of frequency‐dependent polarizabilities and van der Waals coefficients: Application to H2O–H2O and Ar–NH3

P. Wormer, H. Hettema, 1992 .

Ab initio potential energy surfaces of Ar-H2O and Ar-D2O

P. Wormer, A. Avoird, M. Bulski, 1991 .

Ab initio potential energy surfaces of Ar–NH3 for different NH3 umbrella angles

P. Wormer, A. Avoird, M. Bulski, 1991 .

P. Wormer, W. Rijks, 1988 .

Time‐dependent coupled Hartree–Fock calculations of multipole polarizabilities and dispersion interactions in van der Waals dimers consisting of He, H2, Ne, and N2

P. Wormer, F. Visser, P. Stam, 1983 .

Symmetry-adapted perturbation theory applied to interaction-induced properties of collisional complexes

T. Heijmen, P. Wormer, A. Avoird, 1996 .

Theoretical modeling of spectra and collisional processes of weakly interacting complexes

T. Heijmen, P. Wormer, A. Avoird, 1997 .

Density functional calculations of molecular g-tensors in the zero-order regular approximation for relativistic effects

A. van der Avoird, P. Wormer, A. Avoird, 1997 .

An SCF potential energy surface for lithium cyanide

J. Tennyson, P. Wormer, R. Essers, 1982 .

VIBRATION AND ROTATION OF CO IN C60 AND PREDICTED INFRARED SPECTRUM

P. Wormer, A. Avoird, E. Olthof, 1996 .

(Heisenberg) exchange and electrostatic interactions between O2 molecules: An ab initio study

P. Wormer, A. Avoird, A. van der Avoird, 1984 .

Near‐infrared spectrum and rotational predissociation dynamics of the He–HF complex from an ab initio symmetry‐adapted perturbation theory potential

P. Wormer, A. Avoird, B. Jeziorski, 1994 .

New CO-CO interaction potential tested by rovibrational calculations.

P. Wormer, G. Jansen, A. Hesselmann, 2005, The Journal of chemical physics.

Configuration interaction matrix elements. III. Spin functions relating the unitary and symmetric group approaches

P. Wormer, J. Paldus, 1980 .

Intramolecular bond length dependence of the anisotropic dispersion coefficients for interactions of rare gas atoms with N2, CO, Cl2, HCl and HBr

P. Wormer, A. Thakkar, H. Hettema, 1993 .

Frequency‐dependent polarizabilities and van der Waals coefficients of half‐open‐shell systems in the time‐dependent coupled Hartree–Fock approximation

P. Wormer, H. Hettema, 1990 .

State-to-state cross sections for rotational excitation of ortho- and para-NH3 by Ar

P. Wormer, J. Schleipen, J. J. T. Meulen, 1992 .

Ab initio valence‐bond calculations of the van der Waals interactions between π systems: The ethylene dimer

P. Wormer, A. Avoird, 1975 .

Finite field configuration interaction calculations on the distance dependence of the hyperpolarizabilities of H2

P. Wormer, R. Berns, 1981 .

Ab-initio valence bond calculations on the He--He potential curve using small bases

P. Wormer, A. Avoird, T. V. Berkel, 1975 .

Symmetry-adapted perturbation theory of nonadditive three-body interactions in van der Waals molecules. II. Application to the Ar2–HF interaction

T. Heijmen, P. Wormer, A. Avoird, 1998 .

Computation of the short range repulsion energy from correlated monomer wavefunctions in van der Waals dimers containing He, Ne, and N2

P. Wormer, W. Rijks, M. Gerritsen, 1989 .

Ab initio calculations of the collision-induced dipole in He-H2 : I. A valence bond approach

P. Wormer, A. Avoird, R. Berns, 1978 .

Ab initio dispersion coefficients for interactions involving rare-gas atoms

P. Wormer, A. Thakkar, H. Hettema, 1992 .

The non-empirical calculation of second-order molecular properties by means of effective states. II. Effective TDCHF spectra for NO+ CO, CO2, and C2H2

P. Wormer, F. Visser, 1985 .

Tunneling dynamics, symmetry, and far-infrared spectrum of the rotating water trimer. II. Calculations and experiments

P. Wormer, R. Saykally, A. Avoird, 1996 .

Forty years of ab initio calculations on intermolecular forces

A. van der Avoird, P. Wormer, A. Avoird, 2005 .

The high-resolution spectrum of the Ar–CH4 complex in the m region: measurement and ab initio calculation

G. Winnewisser, P. Wormer, A. Avoird, 2003 .

High resolution TDL spectroscopy of the Ar-CH4 complex.

G. Winnewisser, P. Wormer, V. Krivtsun, 2002, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

The rotational and vibrational dynamics of argon-methane. II. Experiment and comparison with theory

T. Heijmen, P. Wormer, A. Avoird, 1999 .

Second Virial Coefficients for Atom-Molecule Complexes from Ab Initio SAPT Potentials

T. Heijmen, P. Wormer, A. Avoird, 1998 .

Erratum: Symmetry-adapted perturbation theory of nonadditive three-body interactions in Van der Waals molecules : I. General theory [J. Chem. Phys. 103, 8058 (1995)]

P. Wormer, A. Avoird, B. Jeziorski, 1997 .

Ab Initio Potential Energy Surface and Infrared Spectrum of the Ne−CO Complex

P. Wormer, A. Avoird, R. Moszynski, 1997 .

Close coupling calculations on rotational excitation and inversion of NH3 by collisions with Ar

P. Wormer, J. J. Meulen, A. Avoird, 1992 .

An ab initio intermolecular potential for the carbon monoxide dimer (CO)2

P. Wormer, A. Avoird, A. V. D. Pol, 1990 .

Erratum: Time‐dependent coupled Hartree–Fock calculations of multipole polarizabilities and dispersion interactions in van der Waals dimers consisting of He, H2, Ne, and N2 [J. Chem. Phys. 79, 4973 (1983)]

P. Wormer, F. Visser, P. Stam, 1984 .

Intermolecular forces and the group theory of many-body systems

P. Wormer, 1975 .

Ab initio studies of the interactions in Van der Waals molecules

P. Wormer, A. Avoird, R. Berns, 1980 .

Ab initio Studies of long range interactions between ethylene molecules in the multipole expansion

P. Wormer, A. Avoird, M. Hemert, 1977 .

Quantum theoretical calculations of van der Waals interactions between molecules. Anisotropic long range interactions

P. Wormer, A. Avoird, F. Mulder, 1977 .

Theoretical prediction of the structure and infrared spectrum of the molecule-ion complexes NH3-H-, NH3-D-, and ND3-H-

P. Wormer, A. Avoird, P. Rosmus, 1995 .

P. Wormer, Paul E. S. Wormer, W. Rijks, 1989 .

From Intermolecular Potentials to the Spectra of van der Waals Molecules, and Vice Versa

P. Wormer, A. Avoird, R. Moszynski, 1994 .

Theory and Applications of Computational Chemistry The First Forty Years

P. Wormer, Paul E. S. Wormer, 2005 .

Density functional calculations of molecular hyperfine interactions in the zero order regular approximation for relativistic effects

P. Wormer, A. Avoird, E. V. Lenthe, 1998 .

Spin properties of radicaloid alternant hydrocarbons. Exact solutions for representative Pariser–Parr–Pople model systems

J. Cizek, P. Wormer, J. Paldus, 1984 .

A new He–CO interaction energy surface with vibrational coordinate dependence. I. Ab initio potential and infrared spectrum

Robert Moszynski, Ad van der Avoird, T. Heijmen, 1997 .

The rotational and vibrational dynamics of argon–methane. I. A theoretical study

T. Heijmen, P. Wormer, A. Avoird, 1999 .

Photodissociation of the methane–argon complex. I. Ab initio intermolecular potential depending on the methane vibrational coordinates

P. Wormer, A. Avoird, M. Geleijns, 2002 .

Ab initio potential-energy surface and rotationally inelastic integral cross sections of the Ar–CH4 complex

T. Heijmen, P. Wormer, A. Avoird, 1997 .

Theoretically generated vibration-rotation-inversion spectrum of Ar-NH3

P. Wormer, A. Avoird, J.W.I. van Bladel, 1991 .

Photodissociation of the methane–argon complex. II. Vibrational predissociation dynamics, spectral linewidths and fragment state distributions

P. Wormer, A. Avoird, N. Halberstadt, 2002 .

An SCF potential energy and dipole surface for rubidium cyanide (RbCN)

P. Wormer, G. Brocks, E. V. Leuken, 1986 .

Interaction potential for He-H2 in the region of the Van der Waals minimum

P. Wormer, A. Avoird, P. Geurts, 1975 .

The interaction potential and transport properties of Na+ ions in He gas

P. Wormer, R. Moszynski, L. Viehland, 1994 .

Intermolecular potentials, internal motions, and spectra of van der waals and hydrogen-bonded complexes.

P. Wormer, A. Avoird, A. van der Avoird, 2000, Chemical reviews.

The TCNE-benzene complex: A CNDO approach

D. B. Chesnut, P. Wormer, 1971 .

Ab initio collision‐induced polarizability, polarized and depolarized Raman spectra, and second dielectric virial coefficient of the helium diatom

T. Heijmen, P. Wormer, A. Avoird, 1996 .

Symmetry‐adapted perturbation theory of nonadditive three‐body interactions in van der Waals molecules. I. General theory

A. van der Avoird, Robert Moszynski, P. Wormer, 1995 .

Ab initio potential energy surface and near‐infrared spectrum of the He–C2H2 complex

A. van der Avoird, Robert Moszynski, P. Wormer, 1995 .

Rovibrational spectra of Ar-H2 and Ar-D2 Van der Waals complexes from an ab initio SAPT potential

P. Wormer, A. Avoird, B. Jeziorski, 1994 .

Computational exploration of the six-dimensional vibration-rotation-tunneling dynamics of (NH3)2

P. Wormer, R. Saykally, A. Avoird, 1992 .

Ab initio SCF calculations on the potential energy surface of potassium cyanide (KCN)

J. Tennyson, P. Wormer, 1981 .

The non-empirical calculation of second order molecular properties by means of effective states

P. Wormer, F. Visser, 1984 .

Angular Momentum Diagrams

P. Wormer, J. Paldus, 2006 .

Configuration interaction matrix elements. I. Algebraic approach to the relationship between unitary group generators and permutations

Josef Paldus, P. Wormer, J. Paldus, 1979 .

The nonempirical calculation of second‐order molecular properties by means of effective states. III. Correlated dynamic polarizabilities and dispersion coefficients for He, Ne, H2, N2, and O2

P. Wormer, F. Visser, W. Jacobs, 1985 .

Frequency‐dependent polarizabilities of O2 and van der Waals coefficients of dimers containing O2

T. Helgaker, P. Wormer, H. Hettema, 1994 .

Ab initio computed diabatic potential energy surfaces of OH-HCl.

G. Groenenboom, P. Wormer, A. van der Avoird, 2005, The Journal of chemical physics.

Calculation of permutation matrices using graphical methods of spin algebras: Explicit expressions for the Serber-coupling case

P. Wormer, J. Paldus, 1978 .

Anisotropy of long range interactions between linear molecules: H2-H2 and H2-He

P. Wormer, A. Avoird, F. Mulder, 1979 .

On the Relation between the Unitary Group Approach and the Conventional Approaches to the Correlation Problem

P. Wormer, 1981 .

Transformation properties of many‐electron wave functions with special attention to the relation between pair‐correlated DODS and configuration interaction

P. Wormer, A. Avoird, 1974 .

Transformation properties of antisymmetric spin eigenfunctions under linear mixing of the orbitals

P. Wormer, A. Avoird, 1972 .

Relationship between configuration interaction and coupled cluster approaches

P. Wormer, F. Visser, J. Paldus, 1982 .

An ab initio CO dimer interaction potential and the computation of the rovibrational spectrum of (CO)2

P. Wormer, A. Avoird, G. Vissers, 2003 .

Water pair potential of near spectroscopic accuracy. II. Vibration-rotation-tunneling levels of the water dimer

G. Groenenboom, P. Wormer, A. Avoird, 2000 .

Structure, internal mobility and spectrum of the ammonia dimer: calculation of the vibration-rotation-tunneling states

P. Wormer, A. Avoird, A. van der Avoird, 1994 .

Is the NH3–NH3 riddle solved?

P. Wormer, A. Avoird, E. Olthof, 1994 .

Ab initio calculations of the potential-energy surface of the Ne_H2 van der Waals molecule

P. Wormer, 1983 .

A van der Waals intermolecular potential for (O2)2

P. Wormer, B. Bussery, 1993 .

Ab initio calculation of the Heisenberg exchange interaction between O2 molecules

P. Wormer, A. Avoird, M. Hemert, 1983 .

Tunneling Motions and Spectra of Hydrogen Bonded Complexes; The Ammonia Dimer and the Water Trimer

P. Wormer, A. Avoird, 2000 .

The frequency‐dependent polarizability of O2 and the dispersion interaction in dimers containing O2 from a single, double, triple configuration interaction perturbation approach

P. Wormer, W. Rijks, M. V. Heeringen, 1989 .

The NH3 umbrella motion in the ArNH3 dimer

P. Wormer, A. Avoird, J.W.I. van Bladel, 1992 .

Abinitio calculations of the collision‐induced dipole in He–H2. II. SCF results and comparison with experiment

P. Wormer, G. V. Dijk, 1979 .

Differential cross sections for rotational excitation of NH3 by collisions with Ar and He. Close coupling results and comparison with experiment

P. Wormer, A. Avoird, G. Sanden, 1996 .

On the propensity rules for inelastic NH3-rare gas collisions

P. Wormer, J. J. Meulen, A. Avoird, 1995 .

The nuclear quadrupole coupling constants and the structure of the para-para ammonia dimer

P. Wormer, A. Avoird, M. Havenith, 1995 .

Is (NH3)2 hydrogen bonded

P. Wormer, A. Avoird, E. Olthof, 1994 .

Theoretical study of the He-HF+ complex. I. The two asymptotically degenerate ground state potential energy surfaces.

P. Wormer, V. Lotrich, A. van der Avoird, 2004, The Journal of chemical physics.

Hydrogen bonding in water clusters: Pair and many-body interactions from symmetry-adapted perturbation theory

P. Wormer, A. Avoird, R. Moszynski, 1999 .

Theoretical study of the OH−(H2O)2 system: Nature and importance of three-body interactions

P. Wormer, R. Moszynski, A. Milet, 1998 .

Erratum: Close coupling calculations on rotational excitation and inversion of NH3 by collisions with Ar [J. Chem. Phys. 97, 6460 (1992)]

P. Wormer, J. J. Meulen, A. Avoird, 1994 .

The van der Waals rovibrational states of the Ar–NH3 dimer

P. Wormer, A. Avoird, J.W.I. van Bladel, 1991 .

Close coupling results for inelastic collisions of NH3 and Ar. A stringent test of a spectroscopic potential.

P. Wormer, R. Saykally, C. Schmuttenmaer, 1994, Chemical physics letters.

The nature of monomer inversion in the ammonia dimer

P. Wormer, R. Saykally, A. Avoird, 1994 .

Ab initio prediction of the vibration-rotation-tunneling spectrum of HCl-(H2O)(2)

G. Groenenboom, P. Wormer, A. Avoird, 2001 .

Theoretical study of the protolytic dissociation of HCl in water clusters

Anne Milet, Robert Moszynski, P. Wormer, 2001 .

Intramonomer correlation contributions to first-order exchange nonadditivity in trimers

P. Wormer, A. Avoird, R. Moszynski, 2000 .

Infrared spectroscopy and ab initio potential energy surface for Ne–C2H2 and Ne–C2HD complexes

T. Heijmen, P. Wormer, R. Bemish, 1998 .

Reply to the Comment on "The importance of high-order correlation effects for the CO-CO interaction potential" - [Chem. Phys. Lett. 314 (1999) 326]

P. Wormer, A. Avoird, R. Moszynski, 2001 .

The importance of high-order correlation effects for the CO–CO interaction potential

P. Wormer, A. Avoird, R. Moszynski, 1999 .

Vibrations, tunneling, and transition dipole moments in the water dimer

G. Groenenboom, P. Wormer, A. Avoird, 2001 .

About the first solvation shell of protonated hydrates: H3O+(H2O)6

R. Wiest, P. Wormer, J. Langlet, 1990 .

Water pair potential of near spectroscopic accuracy. I. Analysis of potential surface and virial coefficients

G. Groenenboom, P. Wormer, A. Avoird, 2000 .

Ab initio treatment of the chemical reaction precursor complex Cl(2P)-HF. 1. Three-dimensional diabatic potential energy surfaces.

P. Wormer, A. van der Avoird, A. V. Fishchuk, 2006, The journal of physical chemistry. A.

Spectroscopic, collisional, and thermodynamic properties of the He–CO2 complex from an ab initio potential: Theoretical predictions and confrontation with the experimental data

F. Thibault, P. Wormer, R. Moszynski, 2001 .

Tunneling dynamics, symmetry, and far‐infrared spectrum of the rotating water trimer. I. Hamiltonian and qualitative model

P. Wormer, A. Avoird, E. Olthof, 1996 .

ANGULAR MOMENTUM THEORY

P. Wormer, Paul E. S. Wormer, 2022 .

Total differential cross sections for Ar–CH4 from an ab initio potential

T. Heijmen, P. Wormer, A. Avoird, 1998 .

Matrix elements between spin- bonded functions in a hole-particle formalism

P. Wormer, 1985 .

Classification of interaction operators with respect to many-particle permutation symmetry

P. Wormer, A. Avoird, 1972 .

Second virial coefficients of asymmetric top molecules.

P. Wormer, 2005, The Journal of chemical physics.

The potential energy surface of triplet H+3 : A representation in hyperspherical coordinates

P. Wormer, F. Groot, 1989 .

Calculation of exchange forces between molecules by application of the Hellmann-Feynman theorem

P. Wormer, A. Avoird, 1977 .

Theoretical investigation of the rovibrational fine-structure spectrum of ArNH in its electronic ground state

P. Wormer, G. Jansen, B. Hess, 1993 .

Intramolecular bond length dependence of the anisotropic dispersion coefficients for H2-rare gas interactions

P. Wormer, A. Thakkar, H. Hettema, 1993 .

Vibrational predissociation dynamics of methane-Ar: an ab initio approach.

P. Wormer, N. Halberstadt, J. Millán, 2001, Faraday discussions.

Tetrahedral harmonics revisited

P. Wormer, 2001 .

The rovibrational ν2 Raman spectrum of ammonia: a comparison of theory and experiment

P. Wormer, R. Engeln, J. Reuss, 1993 .

Coupled-pair theories and Davidson-type corrections for quasidegenerate states: the H4 model revisited

P. Wormer, J. Paldus, M. Bénard, 1988 .

Total differential cross sections and differential energy loss spectra for He–C2H2 from an ab initio potential

T. Heijmen, P. Wormer, A. Avoird, 1997 .