Quantum Chemistry
Quantum mechanical treatment of atoms, molecules, and their interactions.
Quantum Chemistry — Quantum mechanical treatment of atoms, molecules, and their interactions.
The field organises around several methodological axes: how the underlying objects are modelled, how they are measured, how they are connected to the rest of chemistry, and which empirical phenomena drive open questions. The references below anchor the topic in established treatments and current literature.
Foundations and core methods
A primary reference for this area is Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Szabo and Ostlund, 1996), which lays out the core concepts that govern quantum chemistry. The treatment frames the subject within the broader context of physical chemistry and motivates the conceptual vocabulary used throughout this page. The discussion here cites this work as a general anchor rather than for a specific claim, since the exact contribution claim is treated cautiously in line with the Charted sourcing policy.
A complementary perspective comes from Quantum Chemistry (Levine, 2013), which provides further background on the methods and results most relevant to quantum chemistry. Together with the previous reference, it establishes the standard expectations for how practitioners approach the topic in current practice.
Open questions
Open methodological questions in quantum chemistry include the transferability of the standard methods to harder regimes, the integration of newer measurement and modelling tools, and the connection to neighbouring subfields of physical chemistry. Future revisions of this page will deepen the treatment as more primary literature is curated.
Prerequisites
Sources
- textbook · primary · 1996Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theoryszabo-1996, ostlund-1996
- textbook · primary · 2013Quantum Chemistrylevine-2013
In context
Where this topic sits in the prerequisite graph. Click any node to jump.
Explore
- 01
Atomic Structure
Hydrogenic orbitals, multi-electron atoms, and term symbols.
- 02
Molecular Orbital Theory
LCAO, secular equations, and Hückel/extended-Hückel descriptions of bonding.
- 03
Hartree–Fock Theory
Self-consistent-field methods, basis sets, and the mean-field treatment of electron correlation.
- 04
Post-Hartree–Fock Methods
Configuration interaction, coupled cluster, and perturbation theory for electron correlation.
- 05
Multireference Methods
CASSCF, CASPT2, MRCI for systems with strong static correlation.
- 06
Excited-State Electronic Structure
TDDFT, EOM-CC, and CASPT2 approaches to electronic excitations.
- 07
Relativistic Quantum Chemistry
Spin–orbit coupling, scalar relativistic methods, and heavy-element chemistry.
Review this topic
This page was drafted by an agent and is waiting on expert review. Spotted a wrong prerequisite, a missing concept, a misattributed source, or a factual slip? Tell us — your review opens a tracked issue maintainers act on.