Physical Chemistry

A tribute to the life and work of Per-Olov Löwdin by John R Sabin; Erkki Brändas; Per Olov Löwdin

By John R Sabin; Erkki Brändas; Per Olov Löwdin

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107, 403 (1999). 76. C. C. Longuet-Higgins, Proe. Roy. Soc. A 191, 39 (1947). 77. T. L. R. Miller, J. Am. Chem. Soc. R. T. L Closs, J. Am. Chem. Soc. L. T. J. W. R. Miller, J. Phys. Chem. R. Miller, Science 240, 440 (1988); 78. M. Braga and S. Larsson, J Phys. Chem. 97, 8929-8936 (1993); M. Braga and S. Larsson, Chem. Phys. Letters 213,217-223 (1993). 79. , J. Phys. Chem B 1998, 102, 10410; Hasegawa, J, Nakatsuji, H. J. Phys. Chem. ; Ohkawa, K. Chem. Phys. Lett. 1998, 296, 499-504. 80. J. Appl.

Miller, J. Phys. Chem. R. Miller, Science 240, 440 (1988); 78. M. Braga and S. Larsson, J Phys. Chem. 97, 8929-8936 (1993); M. Braga and S. Larsson, Chem. Phys. Letters 213,217-223 (1993). 79. , J. Phys. Chem B 1998, 102, 10410; Hasegawa, J, Nakatsuji, H. J. Phys. Chem. ; Ohkawa, K. Chem. Phys. Lett. 1998, 296, 499-504. 80. J. Appl. Spectr. 1999, 66, 539-543 (1999). 35 Density, Density Matrix, or Propagator Yngve Ohrn Quantum Theory Project University of Florida Gainesville, Florida 32611-8435 ABSTRACT In spite of the current popularity of density functional methods and the many efforts to construct functionals that accurately describe molecular electronic properties, an exact exchangecorrelation potential expressed only in terms of the electron density is elusive.

Quantum Chem. ) 56 Osvaldo Goscinski APPENDIX FOR QUANTUM CHEMISTRY GROUP R E S E A R C H IN A T O M I C , M O L E C U L A R A N D S O L I D - S T A T E UPPSALA UNIVERSITY, UPPSALA, SWEDEN CONJUGATE THEORY EIGENVALUE PROBLEMS AND THE THEORY OF UPPER AND LOWER BOUNDS by Osvaldo PRELIMINARY Goscinski RESEARCH REPORT J u n e 17, 1968 NO. 217 S p o n s o r e d in p a r t b y t h e SWEDISH NATIONAL RESEARCH COUNCIL a n d in p a r t b y t h e A I R F O R C E O F F I C E O F S C I E N T I F I C R E S E A R C H (OSR) T H R O U G H T H E E U R O P E A N O F F I C E O F A E R O S P A C E R E S E A R C H (OAR) UNITED STATES AIR FORCE u n d e r G r a n t A F E O A R 67-50 Conjugate Eigenvalue Problems and Generalized Sturmians 57 INTRODUCTION It is a truism that the Schr6dinger solved exactly.

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