The generalized hybrid orbital method for combined quantum mechanical/molecular mechanical calculations: formulation and tests of the analytical derivatives Patricia AmaraMartin J. FieldJiali Gao Regular article Pages: 336 - 343
Linear scaling computation of the Fock matrix. III. Formation of the exchange matrix with permutational symmetry Eric SchweglerMatt Challacombe Regular article Pages: 344 - 349
Efficient electronic structure calculations for systems of one-dimensional periodicity with the restricted Hartree–Fock–linear combination of atomic orbitals method implemented in Fourier space I. FlamantJ. G. FripiatFrank E. Harris Regular article Pages: 350 - 357
Multiconfigurational expansions of density operators: equations of motion and their properties A. RaabH.-D. Meyer Regular article Pages: 358 - 369
Interaction energies for the water dimer by supermolecular methods and symmetry-adapted perturbation theory: the role of bond functions and convergence of basis subsets Martin TorheydenGeorg Jansen Regular article Pages: 370 - 384
Contracted basis sets for electrical property calculations derived from Second-order Møller–Plesset theory atomic natural orbitals Anthony J. RussellMark A. Spackman Regular article Pages: 385 - 391
The equivalence of bond-energy schemes and the determination of resonance energies Melvyn P. Melrose Regular article Pages: 392 - 397
A theoretical investigation of (−)-deprenyl (selegiline) as a radical scavenger Sachiko NakaiFumio Yoneda Regular article Pages: 398 - 406
Calculation of three-center electric and magnetic multipole moment integrals using translation formulas for Slater-type orbitals I. I. GuseinovB. A. MamedovM. Orbay Letter Pages: 407 - 410
Analytical Hartree–Fock wave functions for the atoms Cs to Lr Toshikatsu KogaKatsutoshi KanayamaAjit J. Thakkar Letter Pages: 411 - 413
