CHEMISTRY AND ATOMIC STRUCTURE

By B. GASAK

CONTENTS PART I HISTORICAL OVERVIEWS AN ILLUSTRATED OVERVIEW OF THE ORIGINS AND DEVELOPMENT OF THE QSCP MEETINGS METHYLENE: A PERSONAL PERSPECTIVE PART II HIGH-PRECISION QUANTUM CHEMISTRY FREE COMPLEMENT METHOD FOR SOLVING THE SCHR¨ODINGER EQUATION: HOW ACCURATELY CAN WE SOLVE THE SCHR¨ODINGER EQUATION ENERGY COMPUTATION FOR EXPONENTIALLY CORRELATED FOUR-BODY WAVEFUNCTIONS PART III BEYOND NONRELATIVISTIC THEORY: RELATIVITY AND QED THE EQUIVALENCE PRINCIPLE FROM A QUANTUM MECHANICAL PERSPECTIVE ¨ RELATIVISTICALLY COVARIANT MANY-BODY PERTURBATION PROCEDURE RELATIVISTIC VARIATIONAL CALCULATIONS FOR COMPLEX ATOMS PART IV ADVANCES IN WAVE FUNCTION METHODS LINEAR SCALING LOCAL CORRELATION EXTENSIONS OF THE STANDARD AND RENORMALIZED COUPLED-CLUSTER METHODS THE CORRELATION CONSISTENT COMPOSITE APPROACH (CCCA): EF?CIENT AND PAN-PERIODIC KINETICS AND THERMODYNAMICS ON THE PERFORMANCE OF A SIZE-EXTENSIVE VARIANT OF EQUATION-OF-MOTION COUPLED CLUSTER THEORY FOR OPTICAL ROTATION IN CHIRAL MOLECULES PERFORMANCE OF BLOCK CORRELATED COUPLED CLUSTER METHOD WITH THE CASSCF REFERENCE FUNCTION FOR CARBON–CARBON BOND BREAKING IN HYDROCARBONS FERMI-VACUUM INVARIANCE IN MULTICON?GURATION PERTURBATION THEORY ´ ´ ´ ON THE WAVE FUNCTION OF COULSON AND FISCHER: A THIRD WAY IN QUANTUM CHEMISTRY PART V ADVANCES IN DENSITY FUNCTIONAL THEORY ENERGY DENSITIES OF EXCHANGE AND CORRELATION IN THE SLOWLY VARYING REGION OF THE AIRY GAS ORBITAL-FREE EMBEDDING EFFECTIVE POTENTIAL IN ANALYTICALLY SOLVABLE CASES A SIMPLE ANALYTICAL DENSITY MODEL FOR ATOMS AND IONS BASED ON A SEMIEXPLICIT DENSITY FUNCTIONAL ´ PART VI ADVANCES IN CONCEPTS AND MODELS THE JAHN–TELLER EFFECT: IMPLICATIONS IN ELECTRONIC STRUCTURE CALCULATIONS RULES FOR EXCITED STATES OF DEGENERATE SYSTEMS: INTERPRETATION BY FROZEN ORBITAL ANALYSIS THE DISSOCIATION CATASTROPHE IN FLUCTUATING-CHARGE MODELS AND ITS IMPLICATIONS FOR THE CONCEPT OF ATOMIC ELECTRONEGATIVITY ´ INFORMATION PLANES AND COMPLEXITY MEASURES FOR ATOMIC SYSTEMS, IONIZATION PROCESSES AND ISOELECTRONIC SERIES