ADVANCES IN QUANTUM CHEMISTRY: THEORETICAL FOUNDATIONS AND MODERN APPLICATIONS
Keywords:
Quantum Chemistry, Schrödinger Equation, Molecular Orbitals, Density Functional Theory, Computational Chemistry, Electronic Structure, Quantum Mechanics, Molecular Modeling.Abstract
Quantum chemistry represents one of the most significant interdisciplinary fields bridging chemistry, physics, and computational science. It provides a fundamental understanding of molecular structures, chemical bonding, electronic properties, and reaction mechanisms through the principles of quantum mechanics. This paper reviews the theoretical foundations of quantum chemistry, including the Schrödinger equation, wave function formalism, molecular orbital theory, and density functional theory. Furthermore, contemporary applications in materials science, nanotechnology, pharmaceutical development, and artificial intelligence-assisted molecular modeling are discussed. The analysis demonstrates that quantum chemistry continues to revolutionize modern scientific research by enabling accurate prediction of molecular behavior and accelerating the discovery of novel compounds.
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