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IssueInternational Journal of Quantum Chemistry: Volume 99, Issue 4
Special Issue:Fourth Congress of the International Society for Theoretical Chemical Physics (ISTCP‐IV)
179-56615 September 2004
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Obituary: Jacek Rychlewski (1947–2003)
- Pages: 187-188
- First Published: 03 June 2004
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Conventional and unconventional techniques in quantum chemistry
- Pages: 198-209
- First Published: 09 June 2004
Part I. Electronic Structure of Atoms and Molecules
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Macroconfigurations in molecular electronic structure theory
- Pages: 210-220
- First Published: 15 January 2004
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Fast and accurate evaluation of three-center, two-electron Coulomb, hybrid, and three-center nuclear attraction integrals over Slater-type orbitals using the SD transformation
- Pages: 221-235
- First Published: 22 January 2004
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Momentum space properties for the atoms helium to neon from energy-optimized explicitly correlated wave functions
- Pages: 247-255
- First Published: 05 February 2004
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Strutinsky's shell-correction method in the extended Kohn–Sham scheme for the investigation of binding energies of atoms and cations in the ground state
- Pages: 265-276
- First Published: 07 June 2004
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Application of accurate MP2 energies for closed-shell atoms in examinations of density functionals for 3d10 electron ions
- Pages: 277-287
- First Published: 22 January 2004
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Approximate atomic calculations and stability of negative ions with a modified Thomas–Fermi–Dirac model
- Pages: 288-296
- First Published: 08 March 2004
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Exact analytic total energy functional for Hooke's atom generated by local-scaling transformations
- Pages: 297-307
- First Published: 22 January 2004
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Nuclear moments and electron density matrices in atoms
- Pages: 308-316
- First Published: 11 June 2004
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Ground state of the beryllium atom: Reinvestigation based on a proper independent particle model
- Pages: 317-324
- First Published: 19 February 2004
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New version of the Rayleigh–Schrödinger perturbation theory: Examples
- Pages: 325-335
- First Published: 09 June 2004
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Molecular quantum theory: Separable electronuclear wave functions and vibronic states—A generalized diabatic approach
- Pages: 373-384
- First Published: 03 May 2004
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Geometric phase effect at N-fold electronic degeneracies in Jahn–Teller systems
- Pages: 385-392
- First Published: 03 June 2004
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Ab initio calculation of parity-violating potential energy hypersurfaces of chiral molecules †
- Pages: 393-407
- First Published: 23 June 2004
Part II. Atomic and Molecular Spectra: Interactions with Photons
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Theoretical approach for simulation of femtosecond spectra: New strategies for optimal control of complex systems
- Pages: 408-420
- First Published: 23 December 2003
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Quantum-phase dynamics of molecular systems interacting with a two-mode squeezed vacuum field: Detuning effects
- Pages: 421-430
- First Published: 18 February 2004
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Harmonic generation by molecules in intense laser and magnetic fields: Orientation effects
- Pages: 431-438
- First Published: 01 June 2004
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Effect of rotations on the generation of coherent internal molecular motion
- Pages: 439-451
- First Published: 19 February 2004
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Calculations of photodissociation in intense laser fields: Validity of the adiabatic elimination of the continuum
- Pages: 452-459
- First Published: 09 February 2004
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Laser-assisted conductance of molecular wires: Two-photon contributions
- Pages: 460-466
- First Published: 17 December 2003
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Nonlinear resonant magneto-optical effects in alkaline metal vapors in the strong bichromatic laser radiation field
- Pages: 467-474
- First Published: 10 May 2004
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The influence of orientation and strength of external magnetic field on the time dependences of populations of atomic levels for Lamda systems
- Pages: 475-483
- First Published: 15 June 2004
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Second quantization and Floquet quasienergies of the parabolic barrier
- Pages: 484-487
- First Published: 22 March 2004
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First-principles analysis for the optical absorption spectra of metal ions in solids
- Pages: 488-494
- First Published: 05 February 2004
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One-electron pseudopotential calculations of electronic properties of NaArn: Low-energy isomers and absorption spectra
- Pages: 495-501
- First Published: 23 December 2003
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Theoretical study of the valence and K-shell spectra of atmospherically relevant CO2
- Pages: 502-510
- First Published: 25 February 2004
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Extension of the molecular quantum defect orbital methodology to the calculation of intensities and lifetimes for vibronic transitions within electronic Rydberg series of NO
- Pages: 511-521
- First Published: 05 February 2004
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Theoretical vibrational spectra of organic ring compounds compared to experiment
- Pages: 533-555
- First Published: 29 January 2004
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Using simply contracted basis functions with the Lanczos algorithm to calculate vibrational spectra
- Pages: 556-566
- First Published: 29 December 2003
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