J. Calais

发表

Calculations of cyclotron orbit areas, effective masses and g-factors for the alkali metals

A. Hjelm, J. Calais, 1992 .

Conceptual trends in quantum chemistry

E. Kryachko, J. Calais, 1994 .

Exchange and correlation potentials for K-shell electrons

J. Calais, S. Larsson, 1972 .

Electronegativities and Transition Densities in the Theory of Metal-Semiconductor Interfaces

O. Goscinski, J. Calais, E. Sangfelt, 1981 .

Electronic structure of the F-centre in sodalite

J. Calais, A.H.Tang Kai, A. Hassib, 1979 .

Convergence of direct space exchange lattice sums in polymer band structure calculations

J. Delhalle, J. Calais, 1986 .

A density-functional study of undoped and doped trans polyacetylene

L. Eriksson, M. Springborg, O. Goscinski, 1991 .

Some comments on the construction of an orthonormal set of LCAO basis functions for crystals

P. Löwdin, J. Calais, T. Ahlenius, 1973 .

A localized‐basis monoexcited configuration interaction technique for extended systems

J. Delhalle, P. Karadakov, J. Calais, 1991 .

Quasicrystals and Momentum Space

J. Calais, 1996 .

Exchange effects on the inner valence and core energy bands and density of states of metallic chains

J. Delhalle, J. Calais, 1988 .

Simple AMO Function for the Lithium Molecule

J. Calais, D. Rai, 1967 .

Fukutome classes in momentum space

J. Calais, 1993 .

General Hartree-Fock solutions for a one dimensional δ-function gas

J. Calais, B. Sykja, 1983 .

Pairing, gap equations, and instabilities

J. Calais, 1980 .

Exact and approximate Hartree–Fock calculations for extended metallic systems

J. Delhalle, J. Calais, 1992 .

Calculation and Plotting of the Charge Density of Ionic Crystals

B. Castman, J. Calais, J. Vallin, 1971 .

Gap equations for molecular systems

J. Calais, B. Sykja, 1984 .

Alternant molecular-orbital excitations by the generator-coordinate method in the electron gas

P. V. Leuven, B. Laskowski, J. Calais, 1975 .

Self-Consistent GÁspár-Kohn-Sham Electronic Structure of Dimerized Trans-Polyacetylene-Chain

J. Boehm, P. Kuivalainen, J. Calais, 1985 .

Conceptual Perspectives in Quantum Chemistry

E. Kryachko, J. Calais, 1997 .

Density matrices and density functionals. Proceedings of the A. John Coleman Symposium. Edited by R. Erdahl and V. H. Smith, Jr., D. Reidel, Dordrecht, 1987

J. Calais, 1990 .

Orbital forms of gap equations and instability conditions

J. Calais, 1982 .

Interaction between electronic and nuclear motion in linear chains

J. Calais, 1994 .

A simple method of treating atomic integrals containing functions of r12

P. Löwdin, J. Calais, 1962 .

Density-functional theory of atoms and molecules. R.G. Parr and W. Yang, Oxford University Press, New York, Oxford, 1989. IX + 333 pp. Price £45.00

Jean-Louis Calais, J. Calais, 1993 .

A critical study of the cluster model for ionic crystals

O. Taurian, A. Sobolev, J. Calais, 1984 .

Cohesive properties of ionic crystals

J. Calais, 2009 .

Band structure of transition metal compounds

J. Calais, 1977 .

Self-consistent-field × α cluster calculations for the ground state Ne2 molecule

P. Weinberger, J. Connolly, J. Calais, 1972 .

Orthonormalization and symmetry adaptation of crystal orbitals

J. Calais, 2009 .

Electronic Correlation in Polymers and Molecular Crystals

J. Calais, 1975 .

Cohesive energy of silver fluoride

M. Hayns, J. Calais, 1973 .

Outer Shell Overlap Integrals for Some Silver Halide Crystals

M. Hayns, J. Calais, 1972 .

Cohesive Energy and Elastic Constants of MgO with Partially Scaled Wave Functions

K. Mäkilä, K. Mansikka, J. Calais, 1971 .

Electronic structure of vacancies and hydrogen-trapped vacancies in aluminium with application to the positron lifetime calculation

K. Iyakutti, J. Calais, 1983 .

Atomic wave functions for the configurations snpm studied by the projection operator technique

J. Linderberg, J. Calais, 1965 .

Quantum science: methods and structure

O. Goscinski, J. Linderberg, J. Calais, 1976 .

Pairing and general spin orbitals

J. Calais, B. Sykja, 1982 .

Direct and indirect solutions of gap equations

J. Calais, 2009 .

Is the peierls transition a transition

J. Calais, 2009 .

Pairing and general spin orbitals for the electron gas

J. Calais, B. Sykja, 1982 .

Size-Consistency and Size-Intensivity Aspects of Many-Body Green's Function Calculations on Polymers : Characterization of the Convergence of Direct Lattice Self-energy Summations

B. T. Pickup, M. Deleuze, J. Delhalle, 1995 .

Direct space symmetry adaptation of crystal orbitals

J. Calais, 1986 .

On the localization of defects

J. Calais, 1980 .

Variational procedure for symmetry-adapted Wannier functions

J. Boehm, J. Calais, 1979 .

Some Comments on the Quantum-Mechanical Treatment of Defects in Ionic Crystals

J. Calais, 1976 .

Occupation function in extended systems

J. Delhalle, J. Calais, 1988 .

A model for electron nuclear dynamics of a monatomic chain

E. Deumens, Y. Öhrn, J. Calais, 1994 .

Translation symmetry for many-electron functions

B. T. Pickup, M. Deleuze, J. Delhalle, 1995 .

Simplified antisymmetrized product of geminals wave function for extended systems. I. Delocalized geminals

O. Castaño, P. Karadakov, J. Calais, 1990 .

Lcao-Gáspár-Kohn-Sham energy bands of trans-polyacetylene-chain

J. Boehm, P. Kuivalainen, J. Calais, 1983 .

ON THE INVERSION OF CYCLIC MATRICES

J. Calais, K. Appel, 1963 .

Simple derivation of conditions for instability in the Hartree–Fock and projected Hartree–Fock schemes†

P. Löwdin, J. Calais, Jacques M. Calazans, 1981 .

Electron nuclear dynamics for a zig–zag chain of nitrogen atoms

J. Calais, A. Pohl, 1995 .

An Ab Initio computational scheme for polymeric chains with fully converged coulomb and exchange lattice sums

J. G. Fripiat, J. Delhalle, J. André, 1991 .

Introduction to solid state theory(Springer series in solid state sciences. Vol. 2) by O. Madelung

J. Calais, 1979 .

Structural and spectroscopic properties of a set of donor-acceptor molecules with and without spacers: Part 2. Piperonyl and julolidyl groups as donors

L. Eriksson, J. Calais, Nessima Salhi, 1992 .

Structural and spectroscopic properties of a set of donor-acceptor molecules with and without spacers: Part 1. Methoxyphenyl and dimethylaminophenyl groups as donors

L. Eriksson, J. Calais, D. Nordfors, 1992 .

Calculation of the electronic structure of ethylene by the SCF-Xα scattered wave method

J. Calais, A. T. Tang Kai, 1975 .

Nonlinear optical properties of some substituted biphenyls

J. Calais, N. Salhi-Benachenhou, Magnus Hedström, 1994 .

D. B. Cook: Structures and Approximations for Electrons in Molecules. Ellis Horwood Ltd., Chichester 1978. 295 Seiten, Preis: £ 13.50

J. Calais, 1978 .

Dependence of RHF properties of hydrogen and helium chains on the exchange lattice summations

J. G. Fripiat, J. Delhalle, J. André, 1990 .

Potentials of an alternative scheme for ab initio polymer band structure calculations. Illustration on the chain of hydrogen atoms

J. G. Fripiat, J. Delhalle, J. André, 1989 .

RHF energy band shapes for metallic chains: Dependence on the summation of exchange contributions. An illustration on the linear chain of hydrogen atoms

J. G. Fripiat, J. Delhalle, J. André, 1988 .

Electron crystallization using localized representation

K. Iyakutti, J. Calais, 1990 .

Fourier representation method for accurate evaluation of the Coulomb and exchange lattice sums in extended chains

J. G. Fripiat, J. Cizek, J. Delhalle, 1994 .

Pathological aspects of restricted Hartree–Fock band calculations for metallic chains

J. Delhalle, J. Calais, 1987 .

On the restricted Hartree-Fock description of oligomer chains with expected metallic character

J. G. Fripiat, L. Piela, J. Delhalle, 1988 .

FINITE AND EXTENDED SYSTEMS

J. Calais, 1996 .

Gap Equations and Instabilities for Extended Systems

J. Calais, 1985 .

Hartree-Fock Pathology and Large Molecules

J. Delhalle, J. Calais, 1987 .

Quantum science : methods and structure : a tribute to Per-Olov Löwdin

P. Löwdin, J. Calais, 1976 .

AMO in linear chains of hydrogen atoms revisited

L. Piela, J. Brédas, J. Delhalle, 2009 .

A study of the AMO method as applied to the lithium metal. I. Review, results, and discussion

J. Calais, G. Sperber, 1973 .

Vibrational motion in isotopomers of the HeH+ molecular ion: An application of the electron nuclear dynamics method

J. Morales, G. Bergson, Y. Öhrn, 1997 .

Alternating polarity and Friedel oscillations

O. Goscinski, J. Calais, S. Canuto, 1981 .

A semiempirical study of heterocycle oligomers and polymers in different dielectric media

M. Karelson, J. Calais, M. Strandberg, 1995 .

Structure and dynamics of atoms and molecules : concepts and trends

E. Kryachko, J. Calais, 1995 .

Computational quantum chemistry. A. Hinchliffe, John Wiley & Sons, Chichester, 1988

J. Calais, 1990 .

Wavelets - Something for quantum chemistry?

Jean-Louis Calais, J. Calais, 1996 .

END (electron nuclear dynamics) with the hydrogen molecule used as a model problem

Hugh S. Taylor, J. Calais, A. Pohl, 1994 .

Momentum Distribution and Charge Density in Solid-State Theory

J. Calais, 1993 .

Scattering Theory Concepts and Chemical Bonding

K. Schwarz, J. Calais, 1980 .

Symmetric orthogonalisation in momentum space: A numerical study

J. Calais, A. Pohl, 1993 .

Chemical Bonding, Reciprocal Form Factors, and Wannier Functions

J. Calais, 1981 .

Orthogonalization in momentum space

J. Calais, 1989 .

Theory of molecular fluids. Volume 1: Fundamentals. By C. G. Gray and K. E. Gubbins, The Clarendon Press, Oxford University Press, New York, 1984

J. Calais, 1990 .

Cohesive Properties of Solids

J. Calais, 1977 .

Completely orthonormalised symmetry-adapted atomic orbitals for solid state calculations

J. Boehm, J. Calais, 1984 .

A study of the AMO method as applied to the lithium metal. II. The first-order density matrix and the shape of the fermi surface

J. Calais, G. Sperber, 1973 .