Publikacje / Publications

1. J. S. Kwiatkowski, J. Wasilewski, Mol. Phys., 13: 229-232 (1967)

Electronic Spectra of Purine and Some Aminopurines

 

2. J. Karwowski, J. Wasilewski, W. Woźnicki,

Bull. Acad. Polon. Sci., Ser. Sci. Math., Astr. et Phys., 16: 259-264 (1968)

On the Inclusion of Doubly Excited Configurations in SCF MO CI Calculations

for Some Heterobenzenes

 

3. J. Wasilewski, Acta Phys. Polonica, A38: 349-363 (1970)

Open-Shell SCF CI Calculations for Naphthalene Ions

 

4. J. Wasilewski, Acta Phys. Polonica, A40: 81-90 (1971)

On a Breakdown of the Pairing Properties in Conjugated Ions of Alternant Hydrocarbons

 

5. J. Wasilewski, W. Woźnicki, Theoret. Chim. Acta, 23: 360-368 (1972)

Some Remarks on the Calculation of Hyperfine Splitting in the ESR Spectra of Conjugated Radicals

 

6. J. Wasilewski, Acta Phys. Polonica, A45: 143-161 (1974)

Electronic Spectra of Conjugated Radicals and Ions. I. Closed-shell Ions

 

7. J. Wasilewski, Acta Phys. Polonica, A46: 341-358 (1974)

Electronic Spectra of Conjugated Radicals and Ions. II. Open-shell Radicals and Radical-Ions

 

8. J. Wasilewski, Acta Phys. Polonica, A46: 359-371 (1974)

Hyperfine Structure of ESR Spectra of Conjugated Radicals and Radical-Ions

 

9. J. Wasilewski, J. Mol. Structure, 52: 281-291 (1979)

Ab initio SCF Study of Some Low-Lying Electronic States of the H2O Molecule, NH2 Radical

and Their Mono-Positive Ions

 

10. A. Bielski, W. Dokurno, J. Wasilewski, J. Wolnikowski,

Optica Applicata, 9: 201-221 (1979)

On the Numerical Analysis of the Fabry-Perot Interferogramms

 

11. W. Kutzelnigg, H. Wallmeier, J. Wasilewski, Theoret. Chim. Acta, 51: 261-273 (1979)

Equilibrium Structure and Harmonic Force Field of the Known PH3 and the Unknown PH5

 

12. J. Wasilewski, At. Data Nucl. Data Tables, 23: 535-545 (1979)

Hartree-Fock Values of Some Atomic Integrals Useful In Simplified LCAO-MO Calculations

for Molecules. I. Atoms B, C, N, O, F

 

13. A. Bielski, J. Wasilewski, Z. Naturforsch., 35a: 1112-1115 (1980)

Hartree-Fock Calculations of the Interaction Potential Parameters for Noble-Gas Atoms

 

14. J. Wasilewski, V. Staemmler, R. Jaquet, Theoret. Chim. Acta, 59: 517-526 (1981)

CEPA Calculations on Open-Shell Molecules. III. Potential Curves of the Six Lowest Excited States of He2 in the Vicinity of Their Equilibrium Distances

 

15. J. Wasilewski, Mol. Phys., 44: 1297-1301 (1981)

The Hybrid Component of the Molecular Dipole Moment in the NDO-Type Methods

 

16. W. Kutzelnigg, J. Wasilewski, J. Am. Chem. Soc., 104: 953-960 (1982)

Theoretical Study of the Reaction PH5 <=> PH3 + H2

 

17. W. Kutzelnigg, J. Wasilewski, H. Wallmeier

The Hypothetical PH5 Molecule and its Reaction to PH3 + H2

in: Energy Storage and Redistribution in Molecules (J. Hinze, Ed.), pp. 203-217,

Plenum Press, New York, 1983

 

18. K. Jankowski, L. Meissner, J. Wasilewski, Int. J. Quantum Chem., 28: 931-942 (1985)

Davidson Type Corrections for Quasi-Degenerate States

 

19. J. Wasilewski, V. Staemmler, Inorg. Chem., 25: 4221-4228 (1986)

CEPA Calculations on Open-Shell Molecules. 7. Electronic Structure and Properties of HNS

 

20. R. Ahlrichs, K. Jankowski, J. Wasilewski, Chem. Phys., 111: 263-269 (1987)

Accurate MR CI Studies of the N2 Ground State

 

21. J. Wasilewski, V. Staemmler, S. Koch, Phys. Rev., A38: 1289-1299 (1988)

Coupled-Electron Pair Approximation Calculations on Open-Shell Molecules:

The two Lowest States of HeNe+

 

22. J. Wasilewski, V. Staemmler, Acta Phys. Polonica, A74: 355-363 (1988)

A Practical Double Configuration (DC) SCF Algorithm Based on a Complete Set

of Generalized Brillouin Conditions

 

23. L. Meissner, K. Jankowski, J. Wasilewski, Int. J. Quantum Chem., 34: 535-557 (1988)

A Coupled-Cluster Metod for Quasidegenerate States

 

24. J. Wasilewski, Int. J. Quantum Chem., 36: 503-524 (1989)

Graphical Techniques in the Configuration Interaction Approach Based on Pure Slater Determinants

 

25. J. Wasilewski, Int. J. Quantum Chem.,  39: 649-656 (1991)

Modified Virtual Orbitals (MVO) in Limited CI Calculations

 

26. K. Jankowski, J. Paldus, J. Wasilewski, J. Chem. Phys., 95: 3549-3561 (1991)

Cluster relations for multireference coupled-cluster theories: a model study

 

27. J. Wasilewski

Local and global minima on molecular potential energy surfaces: an example of N3 radical

in: Physics Computing '92 (R. A. de Groot and J. Nadrchal, Eds.), pp. 498-499,

World Scientific, 1993

 

28. R. B. Słupski, J. Wasilewski, Int. J. Quantum Chem., 56: 655-661 (1995)

A DFT Study of the Ground State of N3 Radical

 

29. J. Wasilewski, Int. J. Quantum Chem., 57: 625-640 (1996)

A Classification of Open-Shell States of Molecules

 

30. J. Wasilewski, S. Zelek, M. Wierzbowska,

Int. J. Quantum Chem., 60: 1027-1036 (1996)

Modifications of Virtual Orbitals in the Limited CI Calculations for Electron-Rich Molecules

 

31. J. Wasilewski, J. Chem. Phys., 105: 10969-10982 (1996)

Stationary Points on the Lowest Doublet and Quartet Hypersurfaces of the N3 Radical:

A Comparison of MO and DFT Approaches

 

32. K. Jankowski, K. Kowalski, K. Rubiniec, J. Wasilewski,

Int. J. Quantum Chem., 67: 205-219 (1998)

Model Study of the Impact of Orbital Choice on the Accuracy of Coupled-Cluster Energies.

I. Single-Reference-State Formulation

http://dx.doi.org/10.1002/(SICI)1097-461X(1998)67:4<205::AID-QUA2>3.0.CO;2-Z

 

33. S. Zelek, J. Wasilewski, J. Heldt, Computers & Chemistry, 24: 263-274 (2000)

Density functional study of the S0 (X 1Ag) and T1 (a 3Au) states of the glyoxal molecule

 

34. K. Jankowski, K. Rubiniec, J. Wasilewski, Chem. Phys. Letters, 343: 365-374 (2001)

Coupled cluster energy dependence on reference-state choice: impact of cluster operator structure

 

35. S. Zelek, L. Cyrnek, J. Wasilewski, J. Mol. Structure (Theochem), 629: 61-70 (2003)

Lower vibrational states of SO2. Density functional and discrete variable representation approach

http://dx.doi.org/10.1016/S0166-1280(03)00127-1

 

36. K. Jankowski, K. Nowakowski, J. Wasilewski, Chem. Phys. Letters, 389: 393-399 (2004)

A comparative study of Kohn-Sham, Brueckner and Hartree-Fock orbitals

http://dx.doi.org/10.1016/j.cplett.2004.03.114

 

37. J. Wasilewski, K. Jankowski, K. Nowakowski, Struct. Chem., 15: 437-445 (2004)

On the presumptive similarity of Kohn-Sham and Brueckner orbitals

 

38. K. Jankowski, I. Grabowski, K. Nowakowski, J. Wasilewski,

Collect. Czech. Chem. Commun., 70: 1157-1176 (2005)

Ab initio correlation effects in density functional theories: an electron-distribution-based

study for neon

http://dx.doi.org/10.1135/cccc20051157

 

39. J. Wasilewski, S. Zelek, J. Mol. Structure (Theochem), 905: 24-33 (2009)

Evolution of orbital spaces along potential curves for diatomic molecules. A comparative study

of HartreeFock, Kohn–Sham, Brueckner and multi-configurational orbital spaces

http://dx.doi.org/10.1016/j.theochem.2009.03.004

 

40. K. Jankowski, K. Nowakowski, I. Grabowski, J. Wasilewski,

J. Chem. Phys., 130: 164102-1-9 (2009)

Coverage of dynamic correlation effects by DFT functionals: Density-based analysis for neon 
http://dx.doi.org/10.1063/1.3116157
 

41. K. Jankowski, K. Nowakowski, I. Grabowski, J. Wasilewski,

Theoret. Chem. Accounts, 125: 433-444 (2010)

Ab initio dynamic correlation effects in density functional theories: A density based study for argon 
http://dx.doi.org/10.1007/s00214-009-0638-5
 

42. J. Komasa, R. Słupski, K. Jankowski, J. Wasilewski, M. A. Teale

J. Chem. Phys., 138: 164306 (2013)

High accuracy ab initio studies of electron densities for the ground state of Be-like atomic systems 
http://dx.doi.org/10.1063/1.4800766